(5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate

C17H12ClNO3 — CID 44583538

IUPAC(5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate
SMILESCc1ccc(-c2ccc(C(=O)Oc3cncc(Cl)c3)o2)cc1
InChIInChI=1S/C17H12ClNO3/c1-11-2-4-12(5-3-11)15-6-7-16(22-15)17(20)21-14-8-13(18)9-19-10-14/h2-10H,1H3
InChIKeyVTLDRSZXYSISAA-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.52
Rot. Bonds3

About (5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate

(5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate (PubChem CID 44583538) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate
PubChem CID44583538
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name(5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate
SMILESCc1ccc(-c2ccc(C(=O)Oc3cncc(Cl)c3)o2)cc1
InChIInChI=1S/C17H12ClNO3/c1-11-2-4-12(5-3-11)15-6-7-16(22-15)17(20)21-14-8-13(18)9-19-10-14/h2-10H,1H3
InChIKeyVTLDRSZXYSISAA-UHFFFAOYSA-N
XLogP4.52
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate 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 (5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate (CID 44583538) is (5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate is Cc1ccc(-c2ccc(C(=O)Oc3cncc(Cl)c3)o2)cc1.
What is the InChIKey of (5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate?
The InChIKey is VTLDRSZXYSISAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-11-2-4-12(5-3-11)15-6-7-16(22-15)17(20)21-14-8-13(18)9-19-10-14/h2-10H,1H3.
What are the key properties of (5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate?
(5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate has a molecular weight of 313.74 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) 5-(4-methylphenyl)furan-2-carboxylate is sourced from PubChem (CID 44583538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).