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

C14H11BrFNO4 — CID 67105019

IUPACmethyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(Br)cc2F)c(=O)cc1O
InChIInChI=1S/C14H11BrFNO4/c1-21-14(20)10-7-17(13(19)5-12(10)18)6-8-2-3-9(15)4-11(8)16/h2-5,7,18H,6H2,1H3
InChIKeyJOXVFVUJUZTXEC-UHFFFAOYSA-N
MW356.15 g/mol
LogP2.29
Rot. Bonds3

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

methyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate (PubChem CID 67105019) has the molecular formula C14H11BrFNO4 and a molecular weight of 356.15 g/mol. Its IUPAC name is methyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate
PubChem CID67105019
Molecular FormulaC14H11BrFNO4
Molecular Weight356.15 g/mol
Exact Mass354.99
IUPAC Namemethyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(Br)cc2F)c(=O)cc1O
InChIInChI=1S/C14H11BrFNO4/c1-21-14(20)10-7-17(13(19)5-12(10)18)6-8-2-3-9(15)4-11(8)16/h2-5,7,18H,6H2,1H3
InChIKeyJOXVFVUJUZTXEC-UHFFFAOYSA-N
XLogP2.29
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate (CID 67105019) is methyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate is COC(=O)c1cn(Cc2ccc(Br)cc2F)c(=O)cc1O.
What is the InChIKey of methyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate?
The InChIKey is JOXVFVUJUZTXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO4/c1-21-14(20)10-7-17(13(19)5-12(10)18)6-8-2-3-9(15)4-11(8)16/h2-5,7,18H,6H2,1H3.
What are the key properties of methyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate?
methyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate has a molecular weight of 356.15 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-bromo-2-fluorophenyl)methyl]-4-hydroxy-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 67105019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).