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

C13H9ClFNO2 — CID 2392805

IUPAC(4-fluorophenyl)methyl 2-chloropyridine-3-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1cccnc1Cl
InChIInChI=1S/C13H9ClFNO2/c14-12-11(2-1-7-16-12)13(17)18-8-9-3-5-10(15)6-4-9/h1-7H,8H2
InChIKeySUHWPOJYRCDNEJ-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.23
Rot. Bonds3

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

(4-fluorophenyl)methyl 2-chloropyridine-3-carboxylate (PubChem CID 2392805) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-chloropyridine-3-carboxylate
PubChem CID2392805
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name(4-fluorophenyl)methyl 2-chloropyridine-3-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1cccnc1Cl
InChIInChI=1S/C13H9ClFNO2/c14-12-11(2-1-7-16-12)13(17)18-8-9-3-5-10(15)6-4-9/h1-7H,8H2
InChIKeySUHWPOJYRCDNEJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-chloropyridine-3-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 2-chloropyridine-3-carboxylate (CID 2392805) is (4-fluorophenyl)methyl 2-chloropyridine-3-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-chloropyridine-3-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 2-chloropyridine-3-carboxylate is O=C(OCc1ccc(F)cc1)c1cccnc1Cl.
What is the InChIKey of (4-fluorophenyl)methyl 2-chloropyridine-3-carboxylate?
The InChIKey is SUHWPOJYRCDNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-12-11(2-1-7-16-12)13(17)18-8-9-3-5-10(15)6-4-9/h1-7H,8H2.
What are the key properties of (4-fluorophenyl)methyl 2-chloropyridine-3-carboxylate?
(4-fluorophenyl)methyl 2-chloropyridine-3-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 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 2392805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).