methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C15H14ClNO3 — CID 70688820

IUPACmethyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cc2ccccc2Cl)c(=O)[nH]c1C
InChIInChI=1S/C15H14ClNO3/c1-9-12(15(19)20-2)8-11(14(18)17-9)7-10-5-3-4-6-13(10)16/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyLTXMSEHUTHUSAU-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.71
Rot. Bonds3

About methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate

methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 70688820) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID70688820
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Namemethyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cc2ccccc2Cl)c(=O)[nH]c1C
InChIInChI=1S/C15H14ClNO3/c1-9-12(15(19)20-2)8-11(14(18)17-9)7-10-5-3-4-6-13(10)16/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyLTXMSEHUTHUSAU-UHFFFAOYSA-N
XLogP2.71
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 86275517
CID 86275517
CID 5310895
CID 5310895
CID 70684576
CID 70684576
CID 70697129
CID 70697129
CID 70684582
CID 70684582
CID 70686742
CID 70686742
CID 70688817
CID 70688817
CID 70688818
CID 70688818
CID 70690899
CID 70690899
CID 70690901
CID 70690901
CID 70695095
CID 70695095
CID 127046049
CID 127046049

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 70688820) is methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1cc(Cc2ccccc2Cl)c(=O)[nH]c1C.
What is the InChIKey of methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is LTXMSEHUTHUSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-9-12(15(19)20-2)8-11(14(18)17-9)7-10-5-3-4-6-13(10)16/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 291.73 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-chlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 70688820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).