(4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate

C13H9ClFNO2 — CID 150554414

IUPAC(4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1ncccc1Cl
InChIInChI=1S/C13H9ClFNO2/c14-11-2-1-7-16-12(11)13(17)18-8-9-3-5-10(15)6-4-9/h1-7H,8H2
InChIKeyIINXBZKGBLWFJY-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.23
Rot. Bonds3

About (4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate

(4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate (PubChem CID 150554414) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate
PubChem CID150554414
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name(4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1ncccc1Cl
InChIInChI=1S/C13H9ClFNO2/c14-11-2-1-7-16-12(11)13(17)18-8-9-3-5-10(15)6-4-9/h1-7H,8H2
InChIKeyIINXBZKGBLWFJY-UHFFFAOYSA-N
XLogP3.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl)methyl 3-chloropyridine-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

Related Compounds

(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279798
benzyl 3-(hydroxymethyl)pyridine-2-carboxylate
CID 145128484
(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61236840
[4-[(4-fluorophenyl)methoxy]phenyl]methyl 4-aminoisoquinoline-3-carboxylate
CID 155969332
3-chloropyridine-2-carbonyl chloride
CID 45081497
benzyl 3-nitropyridine-2-carboxylate
CID 19034701
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336
(4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate
CID 46459571
(4-fluorophenyl)methyl acetate
CID 14793785
2-[(4-fluorophenyl)methoxy]pyrimidine
CID 126953834
(4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate
CID 122367483
1-(3-chloro-2-pyridinyl)propan-1-one
CID 67986834

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate (CID 150554414) is (4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate is O=C(OCc1ccc(F)cc1)c1ncccc1Cl.
What is the InChIKey of (4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate?
The InChIKey is IINXBZKGBLWFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-11-2-1-7-16-12(11)13(17)18-8-9-3-5-10(15)6-4-9/h1-7H,8H2.
What are the key properties of (4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate?
(4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate has a molecular weight of 265.67 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 3-chloropyridine-2-carboxylate is sourced from PubChem (CID 150554414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).