(4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate

C14H12BrNO4 — CID 67111110

IUPAC(4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate
SMILESCn1cc(C(=O)OCc2ccc(Br)cc2)c(O)cc1=O
InChIInChI=1S/C14H12BrNO4/c1-16-7-11(12(17)6-13(16)18)14(19)20-8-9-2-4-10(15)5-3-9/h2-7,17H,8H2,1H3
InChIKeyBFEIDLCWHPNWEV-UHFFFAOYSA-N
MW338.16 g/mol
LogP2.21
Rot. Bonds3

About (4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate

(4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate (PubChem CID 67111110) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is (4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate
PubChem CID67111110
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Name(4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate
SMILESCn1cc(C(=O)OCc2ccc(Br)cc2)c(O)cc1=O
InChIInChI=1S/C14H12BrNO4/c1-16-7-11(12(17)6-13(16)18)14(19)20-8-9-2-4-10(15)5-3-9/h2-7,17H,8H2,1H3
InChIKeyBFEIDLCWHPNWEV-UHFFFAOYSA-N
XLogP2.21
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of (4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate (CID 67111110) is (4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for (4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for (4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate is Cn1cc(C(=O)OCc2ccc(Br)cc2)c(O)cc1=O.
What is the InChIKey of (4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is BFEIDLCWHPNWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c1-16-7-11(12(17)6-13(16)18)14(19)20-8-9-2-4-10(15)5-3-9/h2-7,17H,8H2,1H3.
What are the key properties of (4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate?
(4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 338.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 67111110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).