2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C12H9N3O3 — CID 82820942

IUPAC2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1occc1-c1nc2ncc(C(=O)O)cc2[nH]1
InChIInChI=1S/C12H9N3O3/c1-6-8(2-3-18-6)10-14-9-4-7(12(16)17)5-13-11(9)15-10/h2-5H,1H3,(H,16,17)(H,13,14,15)
InChIKeyJHUFKJOVGQVOJA-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.22
Rot. Bonds2

About 2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82820942) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82820942
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1occc1-c1nc2ncc(C(=O)O)cc2[nH]1
InChIInChI=1S/C12H9N3O3/c1-6-8(2-3-18-6)10-14-9-4-7(12(16)17)5-13-11(9)15-10/h2-5H,1H3,(H,16,17)(H,13,14,15)
InChIKeyJHUFKJOVGQVOJA-UHFFFAOYSA-N
XLogP2.22
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821514
2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821422
2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820856
2-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821320
2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796397
2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82795992
2-(3,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821137
2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820668
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820572
2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821331

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82820942) is 2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is Cc1occc1-c1nc2ncc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is JHUFKJOVGQVOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-6-8(2-3-18-6)10-14-9-4-7(12(16)17)5-13-11(9)15-10/h2-5H,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82820942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).