(3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate

C13H10ClNO3 — CID 24755074

IUPAC(3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate
SMILESO=C(OCc1cccc(Cl)c1)c1cccc(=O)[nH]1
InChIInChI=1S/C13H10ClNO3/c14-10-4-1-3-9(7-10)8-18-13(17)11-5-2-6-12(16)15-11/h1-7H,8H2,(H,15,16)
InChIKeyMBMOJYHUZVXHPP-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.39
Rot. Bonds3

About (3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate

(3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate (PubChem CID 24755074) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate
PubChem CID24755074
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name(3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate
SMILESO=C(OCc1cccc(Cl)c1)c1cccc(=O)[nH]1
InChIInChI=1S/C13H10ClNO3/c14-10-4-1-3-9(7-10)8-18-13(17)11-5-2-6-12(16)15-11/h1-7H,8H2,(H,15,16)
InChIKeyMBMOJYHUZVXHPP-UHFFFAOYSA-N
XLogP2.39
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)methyl 3-amino-1H-pyrazole-5-carboxylate
CID 65127067
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(3-chlorophenyl)methyl 5-amino-1H-indole-2-carboxylate
CID 107363378
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 107261420
(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
CID 65127479
(3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate
CID 65127477
(3-chlorophenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 61314686
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate
CID 115885965
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate (CID 24755074) is (3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate is O=C(OCc1cccc(Cl)c1)c1cccc(=O)[nH]1.
What is the InChIKey of (3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate?
The InChIKey is MBMOJYHUZVXHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-10-4-1-3-9(7-10)8-18-13(17)11-5-2-6-12(16)15-11/h1-7H,8H2,(H,15,16).
What are the key properties of (3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate?
(3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate has a molecular weight of 263.68 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 24755074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).