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

C13H10N4O2 — CID 112582745

IUPAC2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCc1cncc(-c2nc3nccc(C(=O)O)c3[nH]2)c1
InChIInChI=1S/C13H10N4O2/c1-7-4-8(6-14-5-7)11-16-10-9(13(18)19)2-3-15-12(10)17-11/h2-6H,1H3,(H,18,19)(H,15,16,17)
InChIKeyNDFKLYAVNIBQLF-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.03
Rot. Bonds2

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

2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 112582745) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID112582745
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCc1cncc(-c2nc3nccc(C(=O)O)c3[nH]2)c1
InChIInChI=1S/C13H10N4O2/c1-7-4-8(6-14-5-7)11-16-10-9(13(18)19)2-3-15-12(10)17-11/h2-6H,1H3,(H,18,19)(H,15,16,17)
InChIKeyNDFKLYAVNIBQLF-UHFFFAOYSA-N
XLogP2.03
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylimidazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 103511256
2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938354
2-(6-methyl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582603
2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 136923432
2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582695
2-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938226
2-[4-[2-(dimethylamino)ethylamino]phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 69258409
2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 140538831
2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582623
2-(6-oxo-1H-pyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 136966691
2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68935802
2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 114021462

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 112582745) is 2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is Cc1cncc(-c2nc3nccc(C(=O)O)c3[nH]2)c1.
What is the InChIKey of 2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is NDFKLYAVNIBQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-7-4-8(6-14-5-7)11-16-10-9(13(18)19)2-3-15-12(10)17-11/h2-6H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 112582745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).