(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate

C13H9F2NO2 — CID 113236225

IUPAC(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
SMILESO=C(OCc1ccccc1F)c1ccc(F)nc1
InChIInChI=1S/C13H9F2NO2/c14-11-4-2-1-3-10(11)8-18-13(17)9-5-6-12(15)16-7-9/h1-7H,8H2
InChIKeyLFYWKPYLBFAGMM-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.72
Rot. Bonds3

About (2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate

(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate (PubChem CID 113236225) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
PubChem CID113236225
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
SMILESO=C(OCc1ccccc1F)c1ccc(F)nc1
InChIInChI=1S/C13H9F2NO2/c14-11-4-2-1-3-10(11)8-18-13(17)9-5-6-12(15)16-7-9/h1-7H,8H2
InChIKeyLFYWKPYLBFAGMM-UHFFFAOYSA-N
XLogP2.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.72
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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Related Compounds

(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 3288046
(2-fluorophenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644962
(2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate
CID 63933039
(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
CID 52515102
(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 63283831
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945
(2-fluorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753125
4-O-[(2-fluorophenyl)methyl] 1-O-nonyl benzene-1,4-dicarboxylate
CID 91740361
phenyl 6-fluoropyridine-3-carboxylate
CID 145020891
(2-bromophenyl)methyl 6-aminopyridine-3-carboxylate
CID 82824568
(2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate
CID 32887884

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate (CID 113236225) is (2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate is O=C(OCc1ccccc1F)c1ccc(F)nc1.
What is the InChIKey of (2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate?
The InChIKey is LFYWKPYLBFAGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-11-4-2-1-3-10(11)8-18-13(17)9-5-6-12(15)16-7-9/h1-7H,8H2.
What are the key properties of (2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate?
(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate has a molecular weight of 249.22 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate is sourced from PubChem (CID 113236225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).