methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

C14H12ClNO4 — CID 91151108

IUPACmethyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(=O)[nH]c1Cc1ccccc1Cl
InChIInChI=1S/C14H12ClNO4/c1-20-14(19)13-10(16-12(18)7-11(13)17)6-8-4-2-3-5-9(8)15/h2-5,7H,6H2,1H3,(H2,16,17,18)
InChIKeyFWLYQNPEVQNTBC-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.11
Rot. Bonds3

About methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate

methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 91151108) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID91151108
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Namemethyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(=O)[nH]c1Cc1ccccc1Cl
InChIInChI=1S/C14H12ClNO4/c1-20-14(19)13-10(16-12(18)7-11(13)17)6-8-4-2-3-5-9(8)15/h2-5,7H,6H2,1H3,(H2,16,17,18)
InChIKeyFWLYQNPEVQNTBC-UHFFFAOYSA-N
XLogP2.11
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70688820
Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1,6-dihydropyridine-3-carboxylate
CID 54688712
methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 134913839
methyl 4-hydroxy-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 134914072
Dimethyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-2,3-dicarboxylate
CID 135003783
Methyl 1-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate
CID 67104945
6-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 69041996
2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 69792692
2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 70276099
ethyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 70608666
2-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-4-carboxylic acid
CID 71212295
2-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridine-4-carboxylic acid
CID 71212307

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate (CID 91151108) is methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c(O)cc(=O)[nH]c1Cc1ccccc1Cl.
What is the InChIKey of methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is FWLYQNPEVQNTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-20-14(19)13-10(16-12(18)7-11(13)17)6-8-4-2-3-5-9(8)15/h2-5,7H,6H2,1H3,(H2,16,17,18).
What are the key properties of methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate?
methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 293.71 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 91151108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).