4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

C12H8N4O2 — CID 76848053

IUPAC4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2[nH]cnc2c(-c2cccnc2)n1
InChIInChI=1S/C12H8N4O2/c17-12(18)9-4-8-11(15-6-14-8)10(16-9)7-2-1-3-13-5-7/h1-6H,(H,14,15)(H,17,18)
InChIKeyDBLVJAMHRVBNDS-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.72
Rot. Bonds2

About 4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 76848053) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID76848053
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2[nH]cnc2c(-c2cccnc2)n1
InChIInChI=1S/C12H8N4O2/c17-12(18)9-4-8-11(15-6-14-8)10(16-9)7-2-1-3-13-5-7/h1-6H,(H,14,15)(H,17,18)
InChIKeyDBLVJAMHRVBNDS-UHFFFAOYSA-N
XLogP1.72
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9H-Pyrido(3,4-b)indole-3-carboxylic acid
CID 173262
3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carboxylic Acid
CID 58266559
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
6-Imidazol-1-ylmethyl-1H-indole-2-carboxylic acid
CID 13663032
Hyrtiocarbolin
CID 46184324
1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 7144623
5-Imidazol-1-ylmethyl-1H-indole-2-carboxylic acid
CID 13663031
6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)picolinic acid
CID 46885313
1-(5-Carboxy-1h-benzo[d]-imidazol-2-ylmethyl)pyridinium chloride
CID 50907898
4-Methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 135914622
2-(Pyridin-2-yl)-1H-benzo[d]imidazole-6-carboxylic acid
CID 513895
8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869166

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 76848053) is 4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)c1cc2[nH]cnc2c(-c2cccnc2)n1.
What is the InChIKey of 4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is DBLVJAMHRVBNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-12(18)9-4-8-11(15-6-14-8)10(16-9)7-2-1-3-13-5-7/h1-6H,(H,14,15)(H,17,18).
What are the key properties of 4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 76848053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).