Organoheterocyclic compounds
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1-Methylindole-3-carboxaldehyde, 97%
CAS: 19012-03-4 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00014570 InChI Key: KXYBYRKRRGSZCX-UHFFFAOYSA-N Synonym: 1-methyl-1h-indole-3-carbaldehyde,1-methylindole-3-carboxaldehyde,1-methyl-indole-3-carbaldehyde,1h-indole-3-carboxaldehyde, 1-methyl,3-formyl-1-methylindole,1-methyl-3-formylindole,n-methyl-3-formylindole,indole-3-carboxaldehyde, 1-methyl,3-formyl-1-methyl-1h-indole,n-methyl-3-indolecarboxaldehyde PubChem CID: 87894 IUPAC Name: 1-methylindole-3-carbaldehyde SMILES: CN1C=C(C=O)C2=CC=CC=C12
| PubChem CID | 87894 |
|---|---|
| CAS | 19012-03-4 |
| Molecular Weight (g/mol) | 159.19 |
| MDL Number | MFCD00014570 |
| SMILES | CN1C=C(C=O)C2=CC=CC=C12 |
| Synonym | 1-methyl-1h-indole-3-carbaldehyde,1-methylindole-3-carboxaldehyde,1-methyl-indole-3-carbaldehyde,1h-indole-3-carboxaldehyde, 1-methyl,3-formyl-1-methylindole,1-methyl-3-formylindole,n-methyl-3-formylindole,indole-3-carboxaldehyde, 1-methyl,3-formyl-1-methyl-1h-indole,n-methyl-3-indolecarboxaldehyde |
| IUPAC Name | 1-methylindole-3-carbaldehyde |
| InChI Key | KXYBYRKRRGSZCX-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
Diacetone-D-glucose, 98+%
CAS: 582-52-5 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.286 MDL Number: MFCD00005544 InChI Key: KEJGAYKWRDILTF-MQIGXGKASA-N Synonym: 1,2:5,6-diisopropylidene-d-glucose,1,2:5,6-di-o-isopropylidene-alpha-d-glucofuranose,3ar,5r,6s,6as-5-4s-2,2-dimethyl-1,3-dioxolan-4-yl-2,2-dimethyl-tetrahydrofuro 2,3-d 1,3 dioxol-6-ol PubChem CID: 40469256 IUPAC Name: (3aR,5S,6S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol SMILES: CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)O)C
| PubChem CID | 40469256 |
|---|---|
| CAS | 582-52-5 |
| Molecular Weight (g/mol) | 260.286 |
| MDL Number | MFCD00005544 |
| SMILES | CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)O)C |
| Synonym | 1,2:5,6-diisopropylidene-d-glucose,1,2:5,6-di-o-isopropylidene-alpha-d-glucofuranose,3ar,5r,6s,6as-5-4s-2,2-dimethyl-1,3-dioxolan-4-yl-2,2-dimethyl-tetrahydrofuro 2,3-d 1,3 dioxol-6-ol |
| IUPAC Name | (3aR,5S,6S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol |
| InChI Key | KEJGAYKWRDILTF-MQIGXGKASA-N |
| Molecular Formula | C12H20O6 |
5-Isocyanato-1-methyl-1H-indole, 97%, Thermo Scientific™
CAS: 884507-16-8 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.19 MDL Number: MFCD09702358 InChI Key: RDQRMCJCROUHOF-UHFFFAOYSA-N PubChem CID: 24229489 SMILES: CN1C=CC2=CC(=CC=C12)N=C=O
| PubChem CID | 24229489 |
|---|---|
| CAS | 884507-16-8 |
| Molecular Weight (g/mol) | 172.19 |
| MDL Number | MFCD09702358 |
| SMILES | CN1C=CC2=CC(=CC=C12)N=C=O |
| InChI Key | RDQRMCJCROUHOF-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O |
2-Amino-6-fluoropyridine, 97%
CAS: 1597-32-6 Molecular Formula: C5H5FN2 Molecular Weight (g/mol): 112.107 MDL Number: MFCD04114200 InChI Key: UZALKVXCOUSWSL-UHFFFAOYSA-N Synonym: 2-amino-6-fluoropyridine,6-fluoro-pyridin-2-ylamine,6-fluoro-2-pyridylamine,6-fluoropyridin-2-ylamine,6-fluoro-2-pyridinamine,2-pyridinamine, 6-fluoro,acmc-209dk6,6-fluoro-pyridin-2-ylamin,ksc497g8r,6-amino-2-fluoropyridine PubChem CID: 2761399 IUPAC Name: 6-fluoropyridin-2-amine SMILES: C1=CC(=NC(=C1)F)N
| PubChem CID | 2761399 |
|---|---|
| CAS | 1597-32-6 |
| Molecular Weight (g/mol) | 112.107 |
| MDL Number | MFCD04114200 |
| SMILES | C1=CC(=NC(=C1)F)N |
| Synonym | 2-amino-6-fluoropyridine,6-fluoro-pyridin-2-ylamine,6-fluoro-2-pyridylamine,6-fluoropyridin-2-ylamine,6-fluoro-2-pyridinamine,2-pyridinamine, 6-fluoro,acmc-209dk6,6-fluoro-pyridin-2-ylamin,ksc497g8r,6-amino-2-fluoropyridine |
| IUPAC Name | 6-fluoropyridin-2-amine |
| InChI Key | UZALKVXCOUSWSL-UHFFFAOYSA-N |
| Molecular Formula | C5H5FN2 |
Thermo Scientific Chemicals Ciprofloxacin, 98%
CAS: 85721-33-1 Molecular Formula: C17H18FN3O3 Molecular Weight (g/mol): 331.34 InChI Key: MYSWGUAQZAJSOK-UHFFFAOYSA-N Synonym: ciprofloxacin,ciprofloxacine,ciprobay,ciproxan,ciprofloxacina,cipro,ciprofloxacino,ciprofloxacinum,cipro iv,bacquinor PubChem CID: 2764 ChEBI: CHEBI:100241 IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
| PubChem CID | 2764 |
|---|---|
| CAS | 85721-33-1 |
| Molecular Weight (g/mol) | 331.34 |
| ChEBI | CHEBI:100241 |
| SMILES | C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O |
| Synonym | ciprofloxacin,ciprofloxacine,ciprobay,ciproxan,ciprofloxacina,cipro,ciprofloxacino,ciprofloxacinum,cipro iv,bacquinor |
| IUPAC Name | 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid |
| InChI Key | MYSWGUAQZAJSOK-UHFFFAOYSA-N |
| Molecular Formula | C17H18FN3O3 |
6-(1H-Pyrazol-1-yl)nicotinic acid, 97%
CAS: 253315-22-9 Molecular Formula: C9H7N3O2 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00140749 InChI Key: QWFKXYLAKWFQLF-UHFFFAOYSA-N Synonym: 6-1h-pyrazol-1-yl nicotinic acid,6-1h-pyrazol-1-yl pyridine-3-carboxylic acid,6-pyrazol-1-yl-nicotinic acid,6-pyrazol-1-yl pyridine-3-carboxylic acid,6-pyrazolylpyridine-3-carboxylic acid,pyrazolylnicotinicacid,6-pyrazol-1-ylnicotinic acid,6-pyrazol-1-yl-nicotinicacid,6-pyrazole-1-yl-nicotinic acid,6-1h-pyrazol-1yl nicotinic acid PubChem CID: 2763614 SMILES: OC(=O)C1=CN=C(C=C1)N1C=CC=N1
| PubChem CID | 2763614 |
|---|---|
| CAS | 253315-22-9 |
| Molecular Weight (g/mol) | 189.17 |
| MDL Number | MFCD00140749 |
| SMILES | OC(=O)C1=CN=C(C=C1)N1C=CC=N1 |
| Synonym | 6-1h-pyrazol-1-yl nicotinic acid,6-1h-pyrazol-1-yl pyridine-3-carboxylic acid,6-pyrazol-1-yl-nicotinic acid,6-pyrazol-1-yl pyridine-3-carboxylic acid,6-pyrazolylpyridine-3-carboxylic acid,pyrazolylnicotinicacid,6-pyrazol-1-ylnicotinic acid,6-pyrazol-1-yl-nicotinicacid,6-pyrazole-1-yl-nicotinic acid,6-1h-pyrazol-1yl nicotinic acid |
| InChI Key | QWFKXYLAKWFQLF-UHFFFAOYSA-N |
| Molecular Formula | C9H7N3O2 |
1,5-Dimethyl-1H-pyrazole-3-carbonyl chloride, 97%, Thermo Scientific™
CAS: 49783-84-8 Molecular Formula: C6H7ClN2O Molecular Weight (g/mol): 158.59 MDL Number: MFCD03407950 InChI Key: BADBQYAILRGCBB-UHFFFAOYSA-N Synonym: 1,5-dimethyl-1h-pyrazole-3-carbonyl chloride,1h-pyrazole-3-carbonylchloride, 1,5-dimethyl,1,5-dimethyl-1h-pyrazole-3-carbonylchloride,1h-pyrazole-3-carbonyl chloride, 1,5-dimethyl-9ci PubChem CID: 2776364 IUPAC Name: 1,5-dimethylpyrazole-3-carbonyl chloride SMILES: CN1N=C(C=C1C)C(Cl)=O
| PubChem CID | 2776364 |
|---|---|
| CAS | 49783-84-8 |
| Molecular Weight (g/mol) | 158.59 |
| MDL Number | MFCD03407950 |
| SMILES | CN1N=C(C=C1C)C(Cl)=O |
| Synonym | 1,5-dimethyl-1h-pyrazole-3-carbonyl chloride,1h-pyrazole-3-carbonylchloride, 1,5-dimethyl,1,5-dimethyl-1h-pyrazole-3-carbonylchloride,1h-pyrazole-3-carbonyl chloride, 1,5-dimethyl-9ci |
| IUPAC Name | 1,5-dimethylpyrazole-3-carbonyl chloride |
| InChI Key | BADBQYAILRGCBB-UHFFFAOYSA-N |
| Molecular Formula | C6H7ClN2O |
3-Bromo-2-methylpyridine, 97%
CAS: 38749-79-0 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.03 MDL Number: MFCD00191224 InChI Key: AIPWPTPHMIYYOX-UHFFFAOYSA-N Synonym: 3-bromo-2-picoline,2-methyl-3-bromopyridine,3-bromo-2-methyl-pyridine,pyridine, 3-bromo-2-methyl,2-methyl-3-bromo pyridine,pubchem1220,3-brom-2-methylpyridin,acmc-209j1t,3-bromo-2-methyl pyridine,ksc497m1l PubChem CID: 1201003 IUPAC Name: 3-bromo-2-methylpyridine SMILES: CC1=C(Br)C=CC=N1
| PubChem CID | 1201003 |
|---|---|
| CAS | 38749-79-0 |
| Molecular Weight (g/mol) | 172.03 |
| MDL Number | MFCD00191224 |
| SMILES | CC1=C(Br)C=CC=N1 |
| Synonym | 3-bromo-2-picoline,2-methyl-3-bromopyridine,3-bromo-2-methyl-pyridine,pyridine, 3-bromo-2-methyl,2-methyl-3-bromo pyridine,pubchem1220,3-brom-2-methylpyridin,acmc-209j1t,3-bromo-2-methyl pyridine,ksc497m1l |
| IUPAC Name | 3-bromo-2-methylpyridine |
| InChI Key | AIPWPTPHMIYYOX-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |
2-Thiophenemethanol, 99+%
CAS: 636-72-6 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00005454 InChI Key: ZPHGMBGIFODUMF-UHFFFAOYSA-N Synonym: 2-thiophenemethanol,thiophene-2-methanol,2-thienylmethanol,2-hydroxymethylthiophene,2-thenyl alcohol,2-hydroxymethyl thiophene,thenyl alcohol,2-thiophenecarbinol,thien-2-yl methanol,thiophen-2-yl methanol PubChem CID: 69467 SMILES: OCC1=CC=CS1
| PubChem CID | 69467 |
|---|---|
| CAS | 636-72-6 |
| Molecular Weight (g/mol) | 114.16 |
| MDL Number | MFCD00005454 |
| SMILES | OCC1=CC=CS1 |
| Synonym | 2-thiophenemethanol,thiophene-2-methanol,2-thienylmethanol,2-hydroxymethylthiophene,2-thenyl alcohol,2-hydroxymethyl thiophene,thenyl alcohol,2-thiophenecarbinol,thien-2-yl methanol,thiophen-2-yl methanol |
| InChI Key | ZPHGMBGIFODUMF-UHFFFAOYSA-N |
| Molecular Formula | C5H6OS |
1-n-Hexyl-3-methylimidazolium iodide, 98%
CAS: 178631-05-5 Molecular Formula: C10H19IN2 Molecular Weight (g/mol): 294.18 MDL Number: MFCD12964976 InChI Key: CZIUVCSYOGFUPH-UHFFFAOYSA-M Synonym: 1-hexyl-3-methylimidazolium iodide,1-hexyl-3-methyl-1h-imidazol-3-ium iodide,1-n-hexyl-3-methylimidazolium iodide,dsstox_cid_27927,dsstox_rid_82680,dsstox_gsid_47951,1-methyl-3-hexylimidazolium iodide,1-hexyl-3-me-thylimidazolium iodide,1h-imidazolium,1-hexyl-3-methyl-,iodide,1-hexyl-3-methylimidazolium iodide hplc PubChem CID: 12036651 IUPAC Name: 1-hexyl-3-methylimidazol-3-ium;iodide SMILES: CCCCCCN1C=C[N+](=C1)C.[I-]
| PubChem CID | 12036651 |
|---|---|
| CAS | 178631-05-5 |
| Molecular Weight (g/mol) | 294.18 |
| MDL Number | MFCD12964976 |
| SMILES | CCCCCCN1C=C[N+](=C1)C.[I-] |
| Synonym | 1-hexyl-3-methylimidazolium iodide,1-hexyl-3-methyl-1h-imidazol-3-ium iodide,1-n-hexyl-3-methylimidazolium iodide,dsstox_cid_27927,dsstox_rid_82680,dsstox_gsid_47951,1-methyl-3-hexylimidazolium iodide,1-hexyl-3-me-thylimidazolium iodide,1h-imidazolium,1-hexyl-3-methyl-,iodide,1-hexyl-3-methylimidazolium iodide hplc |
| IUPAC Name | 1-hexyl-3-methylimidazol-3-ium;iodide |
| InChI Key | CZIUVCSYOGFUPH-UHFFFAOYSA-M |
| Molecular Formula | C10H19IN2 |
2,4-Dihydroxypyridine, 97%
CAS: 626-03-9 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00006273 InChI Key: ZEZJPIDPVXJEME-UHFFFAOYSA-N Synonym: 2,4-dihydroxypyridine,pyridine-2,4-diol,2,4-pyridinediol,4-hydroxypyridin-2 1h-one,3-deazauracil,4-hydroxy-2-pyridone,2 1h-pyridinone, 4-hydroxy,2,4-dihydroxy pyridine,2-hydroxy-1h-pyridin-4-one,4-hydroxy-2 1h-pyridinone PubChem CID: 54696004 IUPAC Name: 4-hydroxy-1H-pyridin-2-one SMILES: C1=CNC(=O)C=C1O
| PubChem CID | 54696004 |
|---|---|
| CAS | 626-03-9 |
| Molecular Weight (g/mol) | 111.1 |
| MDL Number | MFCD00006273 |
| SMILES | C1=CNC(=O)C=C1O |
| Synonym | 2,4-dihydroxypyridine,pyridine-2,4-diol,2,4-pyridinediol,4-hydroxypyridin-2 1h-one,3-deazauracil,4-hydroxy-2-pyridone,2 1h-pyridinone, 4-hydroxy,2,4-dihydroxy pyridine,2-hydroxy-1h-pyridin-4-one,4-hydroxy-2 1h-pyridinone |
| IUPAC Name | 4-hydroxy-1H-pyridin-2-one |
| InChI Key | ZEZJPIDPVXJEME-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
3-Iodooxetane, 95%
CAS: 26272-85-5 Molecular Formula: C3H5IO Molecular Weight (g/mol): 183.98 MDL Number: MFCD08544403 InChI Key: KBEIFKMKVCDETC-UHFFFAOYSA-N Synonym: 3-iodo-oxetane,1,3-epoxy-2-iodopropane,oxetane, 3-iodo,3-iodanyloxetane,3-iodooxetane,acmc-1cgai,2-iodo-1,3-epoxypropane,1,3-?epoxy-?2-?iodopropane PubChem CID: 13356686 IUPAC Name: 3-iodooxetane SMILES: IC1COC1
| PubChem CID | 13356686 |
|---|---|
| CAS | 26272-85-5 |
| Molecular Weight (g/mol) | 183.98 |
| MDL Number | MFCD08544403 |
| SMILES | IC1COC1 |
| Synonym | 3-iodo-oxetane,1,3-epoxy-2-iodopropane,oxetane, 3-iodo,3-iodanyloxetane,3-iodooxetane,acmc-1cgai,2-iodo-1,3-epoxypropane,1,3-?epoxy-?2-?iodopropane |
| IUPAC Name | 3-iodooxetane |
| InChI Key | KBEIFKMKVCDETC-UHFFFAOYSA-N |
| Molecular Formula | C3H5IO |
1-Ethyl-3-methylimidazolium iodide, 97%
CAS: 35935-34-3 Molecular Formula: C6H11IN2 Molecular Weight (g/mol): 238.07 MDL Number: MFCD03701101 InChI Key: IKQCDTXBZKMPBB-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium iodide,1-ethyl-3-methylimidazoliumiodide,1-ethyl-3-methyl-1h-imidazol-3-ium iodide,acmc-209ik2,dsstox_cid_29137,dsstox_rid_83356,dsstox_gsid_49281,ksc495i0n,1-ethyl-3-methyl imidazolium iodide salt PubChem CID: 11075478 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;iodide SMILES: [I-].CCN1C=C[N+](C)=C1
| PubChem CID | 11075478 |
|---|---|
| CAS | 35935-34-3 |
| Molecular Weight (g/mol) | 238.07 |
| MDL Number | MFCD03701101 |
| SMILES | [I-].CCN1C=C[N+](C)=C1 |
| Synonym | 1-ethyl-3-methylimidazolium iodide,1-ethyl-3-methylimidazoliumiodide,1-ethyl-3-methyl-1h-imidazol-3-ium iodide,acmc-209ik2,dsstox_cid_29137,dsstox_rid_83356,dsstox_gsid_49281,ksc495i0n,1-ethyl-3-methyl imidazolium iodide salt |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;iodide |
| InChI Key | IKQCDTXBZKMPBB-UHFFFAOYSA-M |
| Molecular Formula | C6H11IN2 |
N-Methyl(tetrahydrothiopyran-4-yl)methylamine, 97%, Thermo Scientific™
CAS: 950603-22-2 Molecular Formula: C7H15NS Molecular Weight (g/mol): 145.264 MDL Number: MFCD09879924 InChI Key: FPKJBESBCAZWPI-UHFFFAOYSA-N Synonym: methyl thian-4-ylmethyl amine,n-methyl tetrahydrothiopyran-4-yl methylamine,n-methyl tetrahydro-2h-thiopyran-4-yl methylamine,methyl thian-4-yl methyl amine,n-methyl-1-thian-4-yl methanamine,n-methyl-n-tetrahydro-2h-thiopyran-4-ylmethyl amine PubChem CID: 24229643 IUPAC Name: N-methyl-1-(thian-4-yl)methanamine SMILES: CNCC1CCSCC1
| PubChem CID | 24229643 |
|---|---|
| CAS | 950603-22-2 |
| Molecular Weight (g/mol) | 145.264 |
| MDL Number | MFCD09879924 |
| SMILES | CNCC1CCSCC1 |
| Synonym | methyl thian-4-ylmethyl amine,n-methyl tetrahydrothiopyran-4-yl methylamine,n-methyl tetrahydro-2h-thiopyran-4-yl methylamine,methyl thian-4-yl methyl amine,n-methyl-1-thian-4-yl methanamine,n-methyl-n-tetrahydro-2h-thiopyran-4-ylmethyl amine |
| IUPAC Name | N-methyl-1-(thian-4-yl)methanamine |
| InChI Key | FPKJBESBCAZWPI-UHFFFAOYSA-N |
| Molecular Formula | C7H15NS |
2-Amino-4-chloro-5,6-dimethylpyrimidine, 97%
CAS: 14394-61-7 Molecular Formula: C6H8ClN3 Molecular Weight (g/mol): 157.601 MDL Number: MFCD00462111 InChI Key: RRMVDLLCVGZDMH-UHFFFAOYSA-N PubChem CID: 248655 IUPAC Name: 4-chloro-5,6-dimethylpyrimidin-2-amine SMILES: CC1=C(N=C(N=C1Cl)N)C
| PubChem CID | 248655 |
|---|---|
| CAS | 14394-61-7 |
| Molecular Weight (g/mol) | 157.601 |
| MDL Number | MFCD00462111 |
| SMILES | CC1=C(N=C(N=C1Cl)N)C |
| IUPAC Name | 4-chloro-5,6-dimethylpyrimidin-2-amine |
| InChI Key | RRMVDLLCVGZDMH-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClN3 |