3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid

C14H11N3O3 — CID 75476643

IUPAC3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)O)c3)cc21
InChIInChI=1S/C14H11N3O3/c1-17-11-6-10(7-15-12(11)16-14(17)20)8-3-2-4-9(5-8)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,20)
InChIKeyNODWKXBQGYKYOG-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.63
Rot. Bonds2

About 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid

3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid (PubChem CID 75476643) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid.

Molecular Properties

Compound Name3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid
PubChem CID75476643
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)O)c3)cc21
InChIInChI=1S/C14H11N3O3/c1-17-11-6-10(7-15-12(11)16-14(17)20)8-3-2-4-9(5-8)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,20)
InChIKeyNODWKXBQGYKYOG-UHFFFAOYSA-N
XLogP1.63
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid?
The IUPAC name of 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid (CID 75476643) is 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid.
What is the SMILES notation for 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid?
The canonical SMILES for 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid is Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)O)c3)cc21.
What is the InChIKey of 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid?
The InChIKey is NODWKXBQGYKYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-17-11-6-10(7-15-12(11)16-14(17)20)8-3-2-4-9(5-8)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,20).
What are the key properties of 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid?
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid is sourced from PubChem (CID 75476643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).