(3-chlorophenyl)methyl pyridine-3-carboxylate

C13H10ClNO2 — CID 3463930

IUPAC(3-chlorophenyl)methyl pyridine-3-carboxylate
SMILESO=C(OCc1cccc(Cl)c1)c1cccnc1
InChIInChI=1S/C13H10ClNO2/c14-12-5-1-3-10(7-12)9-17-13(16)11-4-2-6-15-8-11/h1-8H,9H2
InChIKeyRZANMGDBQOVMGG-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.09
Rot. Bonds3

About (3-chlorophenyl)methyl pyridine-3-carboxylate

(3-chlorophenyl)methyl pyridine-3-carboxylate (PubChem CID 3463930) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is (3-chlorophenyl)methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl pyridine-3-carboxylate
PubChem CID3463930
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name(3-chlorophenyl)methyl pyridine-3-carboxylate
SMILESO=C(OCc1cccc(Cl)c1)c1cccnc1
InChIInChI=1S/C13H10ClNO2/c14-12-5-1-3-10(7-12)9-17-13(16)11-4-2-6-15-8-11/h1-8H,9H2
InChIKeyRZANMGDBQOVMGG-UHFFFAOYSA-N
XLogP3.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate
CID 115885965
(3-chlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677097
(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
CID 65127479
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(E)-but-2-enedioic acid;pyridin-3-ylmethyl pyridine-3-carboxylate
CID 53249666
pyridin-3-ylmethyl 3-aminobenzoate
CID 61321631
(4-phenylphenyl)methyl pyridine-3-carboxylate
CID 9414004
(3,5-dinitrophenyl)methyl pyridine-3-carboxylate
CID 88940674
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid
CID 162157539

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl pyridine-3-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl pyridine-3-carboxylate (CID 3463930) is (3-chlorophenyl)methyl pyridine-3-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl pyridine-3-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl pyridine-3-carboxylate is O=C(OCc1cccc(Cl)c1)c1cccnc1.
What is the InChIKey of (3-chlorophenyl)methyl pyridine-3-carboxylate?
The InChIKey is RZANMGDBQOVMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-12-5-1-3-10(7-12)9-17-13(16)11-4-2-6-15-8-11/h1-8H,9H2.
What are the key properties of (3-chlorophenyl)methyl pyridine-3-carboxylate?
(3-chlorophenyl)methyl pyridine-3-carboxylate has a molecular weight of 247.68 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl pyridine-3-carboxylate is sourced from PubChem (CID 3463930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).