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

C11H5Cl2N3O2S — CID 114021462

IUPAC2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3cc(Cl)sc3Cl)[nH]c12
InChIInChI=1S/C11H5Cl2N3O2S/c12-6-3-5(8(13)19-6)9-15-7-4(11(17)18)1-2-14-10(7)16-9/h1-3H,(H,17,18)(H,14,15,16)
InChIKeyNFLRBHSDTBBCLR-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.69
Rot. Bonds2

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

2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 114021462) has the molecular formula C11H5Cl2N3O2S and a molecular weight of 314.15 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID114021462
Molecular FormulaC11H5Cl2N3O2S
Molecular Weight314.15 g/mol
Exact Mass312.95
IUPAC Name2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3cc(Cl)sc3Cl)[nH]c12
InChIInChI=1S/C11H5Cl2N3O2S/c12-6-3-5(8(13)19-6)9-15-7-4(11(17)18)1-2-14-10(7)16-9/h1-3H,(H,17,18)(H,14,15,16)
InChIKeyNFLRBHSDTBBCLR-UHFFFAOYSA-N
XLogP3.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 114021462) is 2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2nc(-c3cc(Cl)sc3Cl)[nH]c12.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is NFLRBHSDTBBCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2N3O2S/c12-6-3-5(8(13)19-6)9-15-7-4(11(17)18)1-2-14-10(7)16-9/h1-3H,(H,17,18)(H,14,15,16).
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 314.15 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 114021462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).