4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid

C15H13N3O2 — CID 117166768

IUPAC4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid
SMILESCn1c(Cc2ccc(C(=O)O)cc2)nc2cccnc21
InChIInChI=1S/C15H13N3O2/c1-18-13(17-12-3-2-8-16-14(12)18)9-10-4-6-11(7-5-10)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyIOXSAIGYCMVEKZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.26
Rot. Bonds3

About 4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid

4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid (PubChem CID 117166768) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid
PubChem CID117166768
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid
SMILESCn1c(Cc2ccc(C(=O)O)cc2)nc2cccnc21
InChIInChI=1S/C15H13N3O2/c1-18-13(17-12-3-2-8-16-14(12)18)9-10-4-6-11(7-5-10)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyIOXSAIGYCMVEKZ-UHFFFAOYSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid
CID 117166780
4-[[(3S)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 95862686
5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 63757796
2-(fluoromethyl)-3-methylimidazo[4,5-b]pyridine
CID 141030581
4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
CID 50742731
2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
CID 117165506
2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one
CID 23885410
4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165381
3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117165366
2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
CID 63757289
4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoic acid
CID 53213141
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid?
The IUPAC name of 4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid (CID 117166768) is 4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid is Cn1c(Cc2ccc(C(=O)O)cc2)nc2cccnc21.
What is the InChIKey of 4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid?
The InChIKey is IOXSAIGYCMVEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18-13(17-12-3-2-8-16-14(12)18)9-10-4-6-11(7-5-10)15(19)20/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid?
4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid is sourced from PubChem (CID 117166768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).