methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate

C11H14BrNO3 — CID 165416851

IUPACmethyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate
SMILESCCCCn1cc(Br)cc(C(=O)OC)c1=O
InChIInChI=1S/C11H14BrNO3/c1-3-4-5-13-7-8(12)6-9(10(13)14)11(15)16-2/h6-7H,3-5H2,1-2H3
InChIKeyMZJUEGWWTZCRMQ-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.20
Rot. Bonds4

About methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate

methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate (PubChem CID 165416851) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate
PubChem CID165416851
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Namemethyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate
SMILESCCCCn1cc(Br)cc(C(=O)OC)c1=O
InChIInChI=1S/C11H14BrNO3/c1-3-4-5-13-7-8(12)6-9(10(13)14)11(15)16-2/h6-7H,3-5H2,1-2H3
InChIKeyMZJUEGWWTZCRMQ-UHFFFAOYSA-N
XLogP2.20
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-bromo-1-(2-methylsulfonylethyl)-2-oxopyridine-3-carboxylate
CID 59353846
methyl 5-bromo-2-oxo-1-(2,2,3,3,3-pentafluoropropyl)pyridine-3-carboxylate
CID 165416862
methyl 1-benzyl-5-bromo-2-oxopyridine-3-carboxylate
CID 126648415
5-bromo-2-oxo-1-propylpyridine-3-carboxylic acid
CID 131629778
methyl 5-bromo-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylate
CID 69345221
methyl 5-bromo-2-oxo-1-(3-trimethylsilylprop-2-ynyl)pyridine-3-carboxylate
CID 170948677
methyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate;methyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
CID 159612012
methyl 5-bromo-2-butyl-3-hydroxybenzoate
CID 46845882
methyl 3,5-dibromo-2-(hexylamino)benzoate
CID 63451536
methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate
CID 165416841
methyl 5-bromo-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83948124
methyl 4-bromo-1-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]pyrrole-2-carboxylate
CID 130314041

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate (CID 165416851) is methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate is CCCCn1cc(Br)cc(C(=O)OC)c1=O.
What is the InChIKey of methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate?
The InChIKey is MZJUEGWWTZCRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-3-4-5-13-7-8(12)6-9(10(13)14)11(15)16-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate?
methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate has a molecular weight of 288.14 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 165416851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).