methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate

C14H12ClNO4 — CID 67104945

IUPACmethyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(Cc2ccccc2Cl)c(=O)cc1O
InChIInChI=1S/C14H12ClNO4/c1-20-14(19)10-8-16(13(18)6-12(10)17)7-9-4-2-3-5-11(9)15/h2-6,8,17H,7H2,1H3
InChIKeyNKXXFZADRXOYGT-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.04
Rot. Bonds3

About methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate

methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate (PubChem CID 67104945) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate
PubChem CID67104945
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Namemethyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(Cc2ccccc2Cl)c(=O)cc1O
InChIInChI=1S/C14H12ClNO4/c1-20-14(19)10-8-16(13(18)6-12(10)17)7-9-4-2-3-5-11(9)15/h2-6,8,17H,7H2,1H3
InChIKeyNKXXFZADRXOYGT-UHFFFAOYSA-N
XLogP2.04
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate (CID 67104945) is methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate is COC(=O)c1cn(Cc2ccccc2Cl)c(=O)cc1O.
What is the InChIKey of methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate?
The InChIKey is NKXXFZADRXOYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-20-14(19)10-8-16(13(18)6-12(10)17)7-9-4-2-3-5-11(9)15/h2-6,8,17H,7H2,1H3.
What are the key properties of methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate?
methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate has a molecular weight of 293.71 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 67104945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).