methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate

C14H12ClNO3 — CID 4248039

IUPACmethyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H12ClNO3/c1-19-14(18)12-3-2-8-16(13(12)17)9-10-4-6-11(15)7-5-10/h2-8H,9H2,1H3
InChIKeyZHBHFPINWAXKHO-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.34
Rot. Bonds3

About methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate

methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate (PubChem CID 4248039) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
PubChem CID4248039
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Namemethyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H12ClNO3/c1-19-14(18)12-3-2-8-16(13(12)17)9-10-4-6-11(15)7-5-10/h2-8H,9H2,1H3
InChIKeyZHBHFPINWAXKHO-UHFFFAOYSA-N
XLogP2.34
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate (CID 4248039) is methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate?
The InChIKey is ZHBHFPINWAXKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-19-14(18)12-3-2-8-16(13(12)17)9-10-4-6-11(15)7-5-10/h2-8H,9H2,1H3.
What are the key properties of methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate?
methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate has a molecular weight of 277.71 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 4248039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).