4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

C11H7N3O2S — CID 76848051

IUPAC4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2[nH]cnc2c(-c2cccs2)n1
InChIInChI=1S/C11H7N3O2S/c15-11(16)7-4-6-9(13-5-12-6)10(14-7)8-2-1-3-17-8/h1-5H,(H,12,13)(H,15,16)
InChIKeyYIHKVVXJGMFLLE-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.38
Rot. Bonds2

About 4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 76848051) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID76848051
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2[nH]cnc2c(-c2cccs2)n1
InChIInChI=1S/C11H7N3O2S/c15-11(16)7-4-6-9(13-5-12-6)10(14-7)8-2-1-3-17-8/h1-5H,(H,12,13)(H,15,16)
InChIKeyYIHKVVXJGMFLLE-UHFFFAOYSA-N
XLogP2.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 164576961
3-thiophen-2-ylpyrazine-2-carboxylic acid
CID 82470252
6-methylsulfanyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 116862441
6-(methylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 82169719
4,7-dithiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 101144963
2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid
CID 21083646
4-pyrrolidin-3-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 105490624
2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119973
6-iodo-1H-benzimidazole-4-carboxylic acid
CID 131078743
7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid
CID 58381346
6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 82169824
3-thiophen-2-yl-1H-indazole-4-carboxylic acid
CID 39218203

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 76848051) is 4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)c1cc2[nH]cnc2c(-c2cccs2)n1.
What is the InChIKey of 4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is YIHKVVXJGMFLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-11(16)7-4-6-9(13-5-12-6)10(14-7)8-2-1-3-17-8/h1-5H,(H,12,13)(H,15,16).
What are the key properties of 4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid?
4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 76848051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).