methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate

C8H7BrClNO2 — CID 67975081

IUPACmethyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(Br)c(C)c1Cl
InChIInChI=1S/C8H7BrClNO2/c1-4-5(9)3-11-7(6(4)10)8(12)13-2/h3H,1-2H3
InChIKeyNZMHJIKADKFFBW-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.59
Rot. Bonds1

About methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate

methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate (PubChem CID 67975081) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate
PubChem CID67975081
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Namemethyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(Br)c(C)c1Cl
InChIInChI=1S/C8H7BrClNO2/c1-4-5(9)3-11-7(6(4)10)8(12)13-2/h3H,1-2H3
InChIKeyNZMHJIKADKFFBW-UHFFFAOYSA-N
XLogP2.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5-bromo-3-chloro-4-methylpyridine-2-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 8-bromo-7-chloro-4-methylisoquinoline-3-carboxylate
CID 177154163
methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
methyl 4-amino-3-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102966
4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid
CID 141464391
dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
methyl 6-amino-5-chloropyrimidine-4-carboxylate
CID 118996637
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
CID 154578056
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130072747
methyl 3-bromo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 46311089
methyl 5-bromo-1,3-thiazole-4-carboxylate
CID 40787018
methyl 4-bromo-3,5-difluoropyridine-2-carboxylate
CID 141301095

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate (CID 67975081) is methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate is COC(=O)c1ncc(Br)c(C)c1Cl.
What is the InChIKey of methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate?
The InChIKey is NZMHJIKADKFFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c1-4-5(9)3-11-7(6(4)10)8(12)13-2/h3H,1-2H3.
What are the key properties of methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate?
methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate has a molecular weight of 264.51 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-3-chloro-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 67975081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).