2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C12H7ClN4O2 — CID 112582695

IUPAC2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3ccncc3Cl)[nH]c12
InChIInChI=1S/C12H7ClN4O2/c13-8-5-14-3-1-6(8)10-16-9-7(12(18)19)2-4-15-11(9)17-10/h1-5H,(H,18,19)(H,15,16,17)
InChIKeyUEMSTDDWUHDZMT-UHFFFAOYSA-N
MW274.67 g/mol
LogP2.37
Rot. Bonds2

About 2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 112582695) has the molecular formula C12H7ClN4O2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID112582695
Molecular FormulaC12H7ClN4O2
Molecular Weight274.67 g/mol
Exact Mass274.03
IUPAC Name2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3ccncc3Cl)[nH]c12
InChIInChI=1S/C12H7ClN4O2/c13-8-5-14-3-1-6(8)10-16-9-7(12(18)19)2-4-15-11(9)17-10/h1-5H,(H,18,19)(H,15,16,17)
InChIKeyUEMSTDDWUHDZMT-UHFFFAOYSA-N
XLogP2.37
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582623
2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938354
2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 114021462
2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 103511256
2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 136923432
2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 167937720
2-(2,3-difluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938268
2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582745
2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938362
2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 118484953
2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68935802
2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 136966691

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 112582695) is 2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2nc(-c3ccncc3Cl)[nH]c12.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is UEMSTDDWUHDZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4O2/c13-8-5-14-3-1-6(8)10-16-9-7(12(18)19)2-4-15-11(9)17-10/h1-5H,(H,18,19)(H,15,16,17).
What are the key properties of 2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 274.67 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 112582695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).