2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C13H6ClF2N3O2 — CID 82796397

IUPAC2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(-c3cc(F)c(Cl)cc3F)[nH]c2c1
InChIInChI=1S/C13H6ClF2N3O2/c14-7-3-8(15)6(2-9(7)16)11-18-10-1-5(13(20)21)4-17-12(10)19-11/h1-4H,(H,20,21)(H,17,18,19)
InChIKeyMPQGUFSVSVXSBX-UHFFFAOYSA-N
MW309.66 g/mol
LogP3.25
Rot. Bonds2

About 2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82796397) has the molecular formula C13H6ClF2N3O2 and a molecular weight of 309.66 g/mol. Its IUPAC name is 2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82796397
Molecular FormulaC13H6ClF2N3O2
Molecular Weight309.66 g/mol
Exact Mass309.01
IUPAC Name2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(-c3cc(F)c(Cl)cc3F)[nH]c2c1
InChIInChI=1S/C13H6ClF2N3O2/c14-7-3-8(15)6(2-9(7)16)11-18-10-1-5(13(20)21)4-17-12(10)19-11/h1-4H,(H,20,21)(H,17,18,19)
InChIKeyMPQGUFSVSVXSBX-UHFFFAOYSA-N
XLogP3.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.66
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820856
2-(3,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821137
2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821514
2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 107989451
2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820942
2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796325
2-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821320
2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820568
2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820572
2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821422
2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820668
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82796397) is 2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2nc(-c3cc(F)c(Cl)cc3F)[nH]c2c1.
What is the InChIKey of 2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is MPQGUFSVSVXSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2N3O2/c14-7-3-8(15)6(2-9(7)16)11-18-10-1-5(13(20)21)4-17-12(10)19-11/h1-4H,(H,20,21)(H,17,18,19).
What are the key properties of 2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 309.66 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82796397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).