Organoheterocyclic compounds
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7-Chloro-1,2,3,4-tetrahydroisoquinoline hydrochloride, 98%
CAS: 73075-45-3 Molecular Formula: C9H11Cl2N Molecular Weight (g/mol): 204.094 MDL Number: MFCD08461076 InChI Key: OGIAIXMUSSACDB-UHFFFAOYSA-N Synonym: 7-chloro-1,2,3,4-tetrahydroisoquinoline hydrochloride,7-chloro-1,2,3,4-tetrahydroisoquinolinehydrochloride,isoquinoline, 7-chloro-1,2,3,4-tetrahydro-, hydrochloride,7-chloro-1,2,3,4-tetrahydro-isoquinoline hcl,7-chhloro-1,2,3,4-tetrahydroisoquinoline hydrochloride,7-chloro-1,2,3,4-tetrahydroisoquinoline hydrochlor,7-chloro-1,2,3,4-tetrahydroisoquinoline-hydrogen chloride 1/1 PubChem CID: 12595070 IUPAC Name: 7-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride SMILES: C1CNCC2=C1C=CC(=C2)Cl.Cl
| PubChem CID | 12595070 |
|---|---|
| CAS | 73075-45-3 |
| Molecular Weight (g/mol) | 204.094 |
| MDL Number | MFCD08461076 |
| SMILES | C1CNCC2=C1C=CC(=C2)Cl.Cl |
| Synonym | 7-chloro-1,2,3,4-tetrahydroisoquinoline hydrochloride,7-chloro-1,2,3,4-tetrahydroisoquinolinehydrochloride,isoquinoline, 7-chloro-1,2,3,4-tetrahydro-, hydrochloride,7-chloro-1,2,3,4-tetrahydro-isoquinoline hcl,7-chhloro-1,2,3,4-tetrahydroisoquinoline hydrochloride,7-chloro-1,2,3,4-tetrahydroisoquinoline hydrochlor,7-chloro-1,2,3,4-tetrahydroisoquinoline-hydrogen chloride 1/1 |
| IUPAC Name | 7-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
| InChI Key | OGIAIXMUSSACDB-UHFFFAOYSA-N |
| Molecular Formula | C9H11Cl2N |
3-Aminopyrazine-2-carboxamide, 96%
CAS: 32587-10-3 Molecular Formula: C5H6N4O Molecular Weight (g/mol): 138.13 MDL Number: MFCD03407446 InChI Key: SFSMATGDLFHTHE-UHFFFAOYSA-N Synonym: aminopyrazine carboxamide,3-aminopyrazinecarboxamide,3-amino-2-pyrazinecarboxamide,3-amino-pyrazine-2-carboxylic acid amide,3-amino-pyrazinecarboxamide,3-amino-pyrazine-2-carboxamide,2-pyrazinecarboxamide,3-amino,pyrazinecarboxamide, 3-amino,pyrazinecarboxamide, 3-amino-7ci,9ci PubChem CID: 280292 IUPAC Name: 3-aminopyrazine-2-carboxamide SMILES: NC(=O)C1=NC=CN=C1N
| PubChem CID | 280292 |
|---|---|
| CAS | 32587-10-3 |
| Molecular Weight (g/mol) | 138.13 |
| MDL Number | MFCD03407446 |
| SMILES | NC(=O)C1=NC=CN=C1N |
| Synonym | aminopyrazine carboxamide,3-aminopyrazinecarboxamide,3-amino-2-pyrazinecarboxamide,3-amino-pyrazine-2-carboxylic acid amide,3-amino-pyrazinecarboxamide,3-amino-pyrazine-2-carboxamide,2-pyrazinecarboxamide,3-amino,pyrazinecarboxamide, 3-amino,pyrazinecarboxamide, 3-amino-7ci,9ci |
| IUPAC Name | 3-aminopyrazine-2-carboxamide |
| InChI Key | SFSMATGDLFHTHE-UHFFFAOYSA-N |
| Molecular Formula | C5H6N4O |
3-Bromo-5-iodopyridine, 95%
CAS: 233770-01-9 Molecular Formula: C5H3BrIN Molecular Weight (g/mol): 283.894 MDL Number: MFCD03086019 InChI Key: AOOZLVWDZUPEHT-UHFFFAOYSA-N PubChem CID: 820409 IUPAC Name: 3-bromo-5-iodopyridine SMILES: C1=C(C=NC=C1I)Br
| PubChem CID | 820409 |
|---|---|
| CAS | 233770-01-9 |
| Molecular Weight (g/mol) | 283.894 |
| MDL Number | MFCD03086019 |
| SMILES | C1=C(C=NC=C1I)Br |
| IUPAC Name | 3-bromo-5-iodopyridine |
| InChI Key | AOOZLVWDZUPEHT-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrIN |
6,7-Dimethoxy-3,4-dihydroisoquinoline, 97%
CAS: 3382-18-1 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD00266748 InChI Key: NSLJVQUDZCZJLK-UHFFFAOYSA-N PubChem CID: 30058 IUPAC Name: 6,7-dimethoxy-3,4-dihydroisoquinoline SMILES: COC1=CC2=C(C=NCC2)C=C1OC
| PubChem CID | 30058 |
|---|---|
| CAS | 3382-18-1 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD00266748 |
| SMILES | COC1=CC2=C(C=NCC2)C=C1OC |
| IUPAC Name | 6,7-dimethoxy-3,4-dihydroisoquinoline |
| InChI Key | NSLJVQUDZCZJLK-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO2 |
2,3,5-Trichloropyridine, 98%
CAS: 16063-70-0 Molecular Formula: C5H2Cl3N Molecular Weight (g/mol): 182.428 MDL Number: MFCD00043007 InChI Key: CNLIIAKAAMFCJG-UHFFFAOYSA-N Synonym: pyridine, 2,3,5-trichloro,2,3,5-trichloro pyridine,2,3,5-trichloro-pyridine,pubchem1127,g00013-watson-int,acmc-1at5w,2,3,6-trichloro-pyridine,2, 3, 5-trichloropyridine,ksc179q6d,tpc-i005 PubChem CID: 27666 IUPAC Name: 2,3,5-trichloropyridine SMILES: C1=C(C=NC(=C1Cl)Cl)Cl
| PubChem CID | 27666 |
|---|---|
| CAS | 16063-70-0 |
| Molecular Weight (g/mol) | 182.428 |
| MDL Number | MFCD00043007 |
| SMILES | C1=C(C=NC(=C1Cl)Cl)Cl |
| Synonym | pyridine, 2,3,5-trichloro,2,3,5-trichloro pyridine,2,3,5-trichloro-pyridine,pubchem1127,g00013-watson-int,acmc-1at5w,2,3,6-trichloro-pyridine,2, 3, 5-trichloropyridine,ksc179q6d,tpc-i005 |
| IUPAC Name | 2,3,5-trichloropyridine |
| InChI Key | CNLIIAKAAMFCJG-UHFFFAOYSA-N |
| Molecular Formula | C5H2Cl3N |
5-Hydroxypyridine-2-carboxylic acid, 98+%
CAS: 15069-92-8 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00661309 InChI Key: CGRRUFNHHQCLDZ-UHFFFAOYSA-N Synonym: 5-hydroxypicolinic acid,5-hydroxy-2-pyridinecarboxylic acid,5-hydroxy-pyridine-2-carboxylic acid,6-carboxy-3-pyridinol,2-pyridinecarboxylic acid, 5-hydroxy,5-hydroxy-2-pyridine carboxylic acid,pubchem10094,5-hydroxypicolinic acidn,acmc-209d4x,ksc171o9d PubChem CID: 268740 IUPAC Name: 5-hydroxypyridine-2-carboxylic acid SMILES: C1=CC(=NC=C1O)C(=O)O
| PubChem CID | 268740 |
|---|---|
| CAS | 15069-92-8 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00661309 |
| SMILES | C1=CC(=NC=C1O)C(=O)O |
| Synonym | 5-hydroxypicolinic acid,5-hydroxy-2-pyridinecarboxylic acid,5-hydroxy-pyridine-2-carboxylic acid,6-carboxy-3-pyridinol,2-pyridinecarboxylic acid, 5-hydroxy,5-hydroxy-2-pyridine carboxylic acid,pubchem10094,5-hydroxypicolinic acidn,acmc-209d4x,ksc171o9d |
| IUPAC Name | 5-hydroxypyridine-2-carboxylic acid |
| InChI Key | CGRRUFNHHQCLDZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |
2-Bromo-3-fluoropyridine-4-carboxylic acid, 98%, Thermo Scientific Chemicals
CAS: 1211530-89-0 Molecular Formula: C6H3BrFNO2 Molecular Weight (g/mol): 220.00 MDL Number: MFCD13185796 InChI Key: DHFIVEUMGCJILQ-UHFFFAOYSA-N Synonym: 2-bromo-3-fluoroisonicotinic acid,2-bromo-3-fluoroisonicotinicacid,2-bromo-3-fluoro-4-picolic acid,2-bromo-3-fluoro-4-pyridinecarboxylic acid,2-bromo-3-fluoropyridin-4-carboxylicacid,2-bromo-3-fluoropyridin-4-carboxylic acid PubChem CID: 70680697 IUPAC Name: 2-bromo-3-fluoropyridine-4-carboxylic acid SMILES: OC(=O)C1=C(F)C(Br)=NC=C1
| PubChem CID | 70680697 |
|---|---|
| CAS | 1211530-89-0 |
| Molecular Weight (g/mol) | 220.00 |
| MDL Number | MFCD13185796 |
| SMILES | OC(=O)C1=C(F)C(Br)=NC=C1 |
| Synonym | 2-bromo-3-fluoroisonicotinic acid,2-bromo-3-fluoroisonicotinicacid,2-bromo-3-fluoro-4-picolic acid,2-bromo-3-fluoro-4-pyridinecarboxylic acid,2-bromo-3-fluoropyridin-4-carboxylicacid,2-bromo-3-fluoropyridin-4-carboxylic acid |
| IUPAC Name | 2-bromo-3-fluoropyridine-4-carboxylic acid |
| InChI Key | DHFIVEUMGCJILQ-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrFNO2 |
5-Bromo-2-hydroxy-3-methylpyridine, 98%, Thermo Scientific Chemicals
CAS: 89488-30-2 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.024 MDL Number: MFCD03427657 InChI Key: HXPMRPRBABWPKL-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxy-3-methylpyridine,5-bromo-3-methylpyridin-2-ol,5-bromo-2-hydroxy-3-picoline,5-bromo-3-methylpyridin-2 1h-one,5-bromo-3-methyl-pyridin-2-ol,5-bromo-3-methyl-2-pyridinol,2-hydroxy-5-bromo-3-picoline,2-hydroxy-3-methyl-5-bromopyridine,5-bromo-3-methyl-2-pyridone,2 1h-pyridinone, 5-bromo-3-methyl PubChem CID: 285436 IUPAC Name: 5-bromo-3-methyl-1H-pyridin-2-one SMILES: CC1=CC(=CNC1=O)Br
| PubChem CID | 285436 |
|---|---|
| CAS | 89488-30-2 |
| Molecular Weight (g/mol) | 188.024 |
| MDL Number | MFCD03427657 |
| SMILES | CC1=CC(=CNC1=O)Br |
| Synonym | 5-bromo-2-hydroxy-3-methylpyridine,5-bromo-3-methylpyridin-2-ol,5-bromo-2-hydroxy-3-picoline,5-bromo-3-methylpyridin-2 1h-one,5-bromo-3-methyl-pyridin-2-ol,5-bromo-3-methyl-2-pyridinol,2-hydroxy-5-bromo-3-picoline,2-hydroxy-3-methyl-5-bromopyridine,5-bromo-3-methyl-2-pyridone,2 1h-pyridinone, 5-bromo-3-methyl |
| IUPAC Name | 5-bromo-3-methyl-1H-pyridin-2-one |
| InChI Key | HXPMRPRBABWPKL-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
5,5-Dimethyl-1-pyrroline N-oxide, ≥98.0% (GC), MilliporeSigma™ Supelco™
MDL Number: MFCD00005279 Synonym: DMPO
| MDL Number | MFCD00005279 |
|---|---|
| Synonym | DMPO |
2,6-Pyridinedicarboxylic acid, ≥99.5% (T), MilliporeSigma™ Supelco™
MDL Number: MFCD00006299 Synonym: DPA; DPAc; Dipicolinic acid
| MDL Number | MFCD00006299 |
|---|---|
| Synonym | DPA; DPAc; Dipicolinic acid |
Nicotine bitartrate dihydrate, MP Biomedicals
CAS: 6-3-6019 Molecular Formula: C18H30N2O14 Molecular Weight (g/mol): 498.44 MDL Number: MFCD00150899 InChI Key: LDMPZNTVIGIREC-HYRPJEHINA-N Synonym: nicotine ditartrate dihydrate,unii-r7m676m8yv,nicotine bitartrate usan,2r,3r-2,3-dihydroxybutanedioic acid;3-2s-1-methylpyrrolidin-2-yl pyridine;dihydrate,nicotine bitartrate who-dd,nicotine acid tartrate dihydrate,s-3-1-methylpyrrolidin-2-yl pyridine bis 2r,3r-2,3-dihydroxysuccinate dihydrate,2r,3r-2,3-dihydroxybutanedioic acid; 3-2s-1-methylpyrrolidin-2-yl pyridine; dihydrate,3-2s-1-methyl-2-pyrrolidinyl pyridine, 2r,3r-2,3-dihydroxybutanedioate 1:2 , dihydrate IUPAC Name: bis((2R,3R)-2,3-dihydroxybutanedioic acid) 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine dihydrate SMILES: O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1
| CAS | 6-3-6019 |
|---|---|
| Molecular Weight (g/mol) | 498.44 |
| MDL Number | MFCD00150899 |
| SMILES | O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1 |
| Synonym | nicotine ditartrate dihydrate,unii-r7m676m8yv,nicotine bitartrate usan,2r,3r-2,3-dihydroxybutanedioic acid;3-2s-1-methylpyrrolidin-2-yl pyridine;dihydrate,nicotine bitartrate who-dd,nicotine acid tartrate dihydrate,s-3-1-methylpyrrolidin-2-yl pyridine bis 2r,3r-2,3-dihydroxysuccinate dihydrate,2r,3r-2,3-dihydroxybutanedioic acid; 3-2s-1-methylpyrrolidin-2-yl pyridine; dihydrate,3-2s-1-methyl-2-pyrrolidinyl pyridine, 2r,3r-2,3-dihydroxybutanedioate 1:2 , dihydrate |
| IUPAC Name | bis((2R,3R)-2,3-dihydroxybutanedioic acid) 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine dihydrate |
| InChI Key | LDMPZNTVIGIREC-HYRPJEHINA-N |
| Molecular Formula | C18H30N2O14 |
Pyrido[2,3-b]pyrazine, 98%
CAS: 322-46-3 Molecular Formula: C7H5N3 Molecular Weight (g/mol): 131.14 MDL Number: MFCD00006717 InChI Key: YEYHFKBVNARCNE-UHFFFAOYSA-N Synonym: pyrido 2,3-b pyrazine,1,4,5-triazanaphthalene,5-azaquinoxaline,pyrido 2,3 pyrazine,pyrido 3,2-b pyrazine,acmc-20ahgw,1,5-triazanaphthalene,pyridino 2,3-b pyrazine PubChem CID: 67580 IUPAC Name: pyrido[2,3-b]pyrazine SMILES: C1=CN=C2N=CC=NC2=C1
| PubChem CID | 67580 |
|---|---|
| CAS | 322-46-3 |
| Molecular Weight (g/mol) | 131.14 |
| MDL Number | MFCD00006717 |
| SMILES | C1=CN=C2N=CC=NC2=C1 |
| Synonym | pyrido 2,3-b pyrazine,1,4,5-triazanaphthalene,5-azaquinoxaline,pyrido 2,3 pyrazine,pyrido 3,2-b pyrazine,acmc-20ahgw,1,5-triazanaphthalene,pyridino 2,3-b pyrazine |
| IUPAC Name | pyrido[2,3-b]pyrazine |
| InChI Key | YEYHFKBVNARCNE-UHFFFAOYSA-N |
| Molecular Formula | C7H5N3 |
4-Fluoro-7-nitrobenzofurazan
CAS: 29270-56-2 Molecular Formula: C6H2FN3O3 Molecular Weight (g/mol): 183.098 MDL Number: MFCD00010196 InChI Key: PGZIDERTDJHJFY-UHFFFAOYSA-N Synonym: 4-fluoro-7-nitrobenzofurazan,nbd-f,4-fluoro-7-nitrobenzo c 1,2,5 oxadiazole,7-fluoro-4-nitrobenzofurazan,7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole,4-fluoro-7-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazole, 4-fluoro-7-nitro,nbd-fluoride,nbd-f cpd,4-fluoro-7-nitrobenzo c 1,2,5-oxadiazole PubChem CID: 122123 IUPAC Name: 4-fluoro-7-nitro-2,1,3-benzoxadiazole SMILES: C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]
| PubChem CID | 122123 |
|---|---|
| CAS | 29270-56-2 |
| Molecular Weight (g/mol) | 183.098 |
| MDL Number | MFCD00010196 |
| SMILES | C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-] |
| Synonym | 4-fluoro-7-nitrobenzofurazan,nbd-f,4-fluoro-7-nitrobenzo c 1,2,5 oxadiazole,7-fluoro-4-nitrobenzofurazan,7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole,4-fluoro-7-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazole, 4-fluoro-7-nitro,nbd-fluoride,nbd-f cpd,4-fluoro-7-nitrobenzo c 1,2,5-oxadiazole |
| IUPAC Name | 4-fluoro-7-nitro-2,1,3-benzoxadiazole |
| InChI Key | PGZIDERTDJHJFY-UHFFFAOYSA-N |
| Molecular Formula | C6H2FN3O3 |
2,3,3-Trimethylindolenine, 98%
CAS: 1640-39-7 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.232 MDL Number: MFCD00005724 InChI Key: FLHJIAFUWHPJRT-UHFFFAOYSA-N Synonym: 2,3,3-trimethylindolenine,2,3,3-trimethyl-3h-indole,3h-indole, 2,3,3-trimethyl,ccris 6607,2,3,3-trimethyl-indolenin,2,3,3-trimethyl-3-hydroindole,pubchem7445,rarechem ah bs 0130,2,3-trimethylindolenine,2,3,3-trimethyl-indole PubChem CID: 15427 IUPAC Name: 2,3,3-trimethylindole SMILES: CC1=NC2=CC=CC=C2C1(C)C
| PubChem CID | 15427 |
|---|---|
| CAS | 1640-39-7 |
| Molecular Weight (g/mol) | 159.232 |
| MDL Number | MFCD00005724 |
| SMILES | CC1=NC2=CC=CC=C2C1(C)C |
| Synonym | 2,3,3-trimethylindolenine,2,3,3-trimethyl-3h-indole,3h-indole, 2,3,3-trimethyl,ccris 6607,2,3,3-trimethyl-indolenin,2,3,3-trimethyl-3-hydroindole,pubchem7445,rarechem ah bs 0130,2,3-trimethylindolenine,2,3,3-trimethyl-indole |
| IUPAC Name | 2,3,3-trimethylindole |
| InChI Key | FLHJIAFUWHPJRT-UHFFFAOYSA-N |
| Molecular Formula | C11H13N |
Brucine
CAS: 357-57-3 Molecular Formula: C23H26N2O4 Molecular Weight (g/mol): 394.471 MDL Number: MFCD00005942 InChI Key: RRKTZKIUPZVBMF-VLTSECPOSA-N Synonym: brucine, anhydrous,brucine:strychnidin-10-one,2,3-dimethoxy PubChem CID: 51413923 IUPAC Name: (4aR,5aS,8aR,13aS,15aR,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC
| PubChem CID | 51413923 |
|---|---|
| CAS | 357-57-3 |
| Molecular Weight (g/mol) | 394.471 |
| MDL Number | MFCD00005942 |
| SMILES | COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC |
| Synonym | brucine, anhydrous,brucine:strychnidin-10-one,2,3-dimethoxy |
| IUPAC Name | (4aR,5aS,8aR,13aS,15aR,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one |
| InChI Key | RRKTZKIUPZVBMF-VLTSECPOSA-N |
| Molecular Formula | C23H26N2O4 |