(2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate

C13H9ClFNO2 — CID 2214206

IUPAC(2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1Cl)c1ccccn1
InChIInChI=1S/C13H9ClFNO2/c14-11-7-10(15)5-4-9(11)8-18-13(17)12-3-1-2-6-16-12/h1-7H,8H2
InChIKeyNHYJOIHUYVBRRZ-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.23
Rot. Bonds3

About (2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate

(2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate (PubChem CID 2214206) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate
PubChem CID2214206
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name(2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate
SMILESO=C(OCc1ccc(F)cc1Cl)c1ccccn1
InChIInChI=1S/C13H9ClFNO2/c14-11-7-10(15)5-4-9(11)8-18-13(17)12-3-1-2-6-16-12/h1-7H,8H2
InChIKeyNHYJOIHUYVBRRZ-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

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Related Compounds

(2-chloro-4-fluorophenyl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate
CID 2102551
(2-chloro-4-fluorophenyl)methyl 3,5-diaminobenzoate
CID 61323117
(2-chlorophenyl)methyl 4-chloropyridine-2-carboxylate
CID 60630389
(2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate
CID 61321843
(2-chloro-4-fluorophenyl)methyl 1-methylpyrrole-2-carboxylate
CID 55307502
(2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate
CID 81395079
(2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate
CID 2215684
ethyl pyridine-2-carboxylate
CID 17307
[2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
CID 7866588
(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate
CID 113400401
(2-chloro-4-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62816495
(2-chloro-4-fluorophenyl)methyl 3-amino-5-fluoro-4-methylbenzoate
CID 61315278

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate?
The IUPAC name of (2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate (CID 2214206) is (2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate.
What is the SMILES notation for (2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate?
The canonical SMILES for (2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate is O=C(OCc1ccc(F)cc1Cl)c1ccccn1.
What is the InChIKey of (2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate?
The InChIKey is NHYJOIHUYVBRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-11-7-10(15)5-4-9(11)8-18-13(17)12-3-1-2-6-16-12/h1-7H,8H2.
What are the key properties of (2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate?
(2-chloro-4-fluorophenyl)methyl pyridine-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 (2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate is sourced from PubChem (CID 2214206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).