methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate

C14H11BrClNO3 — CID 69345221

IUPACmethyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)cn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H11BrClNO3/c1-20-14(19)12-6-10(15)8-17(13(12)18)7-9-2-4-11(16)5-3-9/h2-6,8H,7H2,1H3
InChIKeyWPDULGBYUBYRJE-UHFFFAOYSA-N
MW356.60 g/mol
LogP3.10
Rot. Bonds3

About methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate

methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate (PubChem CID 69345221) has the molecular formula C14H11BrClNO3 and a molecular weight of 356.60 g/mol. Its IUPAC name is methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
PubChem CID69345221
Molecular FormulaC14H11BrClNO3
Molecular Weight356.60 g/mol
Exact Mass354.96
IUPAC Namemethyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(Br)cn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H11BrClNO3/c1-20-14(19)12-6-10(15)8-17(13(12)18)7-9-2-4-11(16)5-3-9/h2-6,8H,7H2,1H3
InChIKeyWPDULGBYUBYRJE-UHFFFAOYSA-N
XLogP3.10
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate (CID 69345221) is methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate is COC(=O)c1cc(Br)cn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate?
The InChIKey is WPDULGBYUBYRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO3/c1-20-14(19)12-6-10(15)8-17(13(12)18)7-9-2-4-11(16)5-3-9/h2-6,8H,7H2,1H3.
What are the key properties of methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate?
methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate has a molecular weight of 356.60 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 69345221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).