2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid

C14H8ClNO3S — CID 106535045

IUPAC2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid
SMILESO=C(O)c1cc(Sc2nccc3occc23)ccc1Cl
InChIInChI=1S/C14H8ClNO3S/c15-11-2-1-8(7-10(11)14(17)18)20-13-9-4-6-19-12(9)3-5-16-13/h1-7H,(H,17,18)
InChIKeyMYKRLAHTOPCYAT-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.33
Rot. Bonds3

About 2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid

2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid (PubChem CID 106535045) has the molecular formula C14H8ClNO3S and a molecular weight of 305.74 g/mol. Its IUPAC name is 2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid.

Molecular Properties

Compound Name2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid
PubChem CID106535045
Molecular FormulaC14H8ClNO3S
Molecular Weight305.74 g/mol
Exact Mass304.99
IUPAC Name2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid
SMILESO=C(O)c1cc(Sc2nccc3occc23)ccc1Cl
InChIInChI=1S/C14H8ClNO3S/c15-11-2-1-8(7-10(11)14(17)18)20-13-9-4-6-19-12(9)3-5-16-13/h1-7H,(H,17,18)
InChIKeyMYKRLAHTOPCYAT-UHFFFAOYSA-N
XLogP4.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-5-[(2-oxo-1H-pyrazin-3-yl)sulfanyl]benzoic acid
CID 114570716
5-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]-2-fluorobenzoic acid
CID 107059311
3-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063707
5-[(3-bromo-4-pyridinyl)sulfanyl]-2-chlorobenzoic acid
CID 113451989
2-chloro-4-(2-methylfuran-3-yl)sulfanylbenzoic acid
CID 107782660
5-(5-chloropyrimidin-4-yl)sulfanyl-2-methylbenzoic acid
CID 105369012
2-chloro-5-quinazolin-2-ylsulfanylbenzoic acid
CID 114788767
2-furo[3,2-c]pyridin-4-yloxy-4-methylbenzoic acid
CID 106535487
2-chloro-5-[(6-chloro-3-pyridinyl)methylsulfanyl]benzoic acid
CID 113371628
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
2-chloro-5-[(2-chloro-3-pyridinyl)methylsulfanyl]benzoic acid
CID 113371599
3-furo[3,2-c]pyridin-4-yloxypyridine-4-carboxylic acid
CID 106535499

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid?
The IUPAC name of 2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid (CID 106535045) is 2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid.
What is the SMILES notation for 2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid?
The canonical SMILES for 2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid is O=C(O)c1cc(Sc2nccc3occc23)ccc1Cl.
What is the InChIKey of 2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid?
The InChIKey is MYKRLAHTOPCYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3S/c15-11-2-1-8(7-10(11)14(17)18)20-13-9-4-6-19-12(9)3-5-16-13/h1-7H,(H,17,18).
What are the key properties of 2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid?
2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid has a molecular weight of 305.74 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid is sourced from PubChem (CID 106535045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).