methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate

C15H11BrClNO2 — CID 76559939

IUPACmethyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)cnc1C=Cc1ccc(Br)cc1
InChIInChI=1S/C15H11BrClNO2/c1-20-15(19)13-8-12(17)9-18-14(13)7-4-10-2-5-11(16)6-3-10/h2-9H,1H3
InChIKeyIZAIKROONURUCT-UHFFFAOYSA-N
MW352.62 g/mol
LogP4.45
Rot. Bonds3

About methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate

methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate (PubChem CID 76559939) has the molecular formula C15H11BrClNO2 and a molecular weight of 352.62 g/mol. Its IUPAC name is methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate
PubChem CID76559939
Molecular FormulaC15H11BrClNO2
Molecular Weight352.62 g/mol
Exact Mass350.97
IUPAC Namemethyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)cnc1C=Cc1ccc(Br)cc1
InChIInChI=1S/C15H11BrClNO2/c1-20-15(19)13-8-12(17)9-18-14(13)7-4-10-2-5-11(16)6-3-10/h2-9H,1H3
InChIKeyIZAIKROONURUCT-UHFFFAOYSA-N
XLogP4.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-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 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate
CID 122455034
methyl 5-chloro-2-iodopyridine-3-carboxylate
CID 133059273
methyl 5-bromo-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate
CID 19168705
methyl 5-chloropyridine-2-carboxylate
CID 11298216
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
methyl 2-(2-bromo-5-fluoro-4-pyridinyl)-5-chlorobenzoate
CID 134324029
methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate
CID 19791897
methyl 5-bromopyridine-2-carboxylate;methyl 5-(5-chloro-2-methylphenyl)pyridine-2-carboxylate
CID 159139193
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate?
The IUPAC name of methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate (CID 76559939) is methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate?
The canonical SMILES for methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate is COC(=O)c1cc(Cl)cnc1C=Cc1ccc(Br)cc1.
What is the InChIKey of methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate?
The InChIKey is IZAIKROONURUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO2/c1-20-15(19)13-8-12(17)9-18-14(13)7-4-10-2-5-11(16)6-3-10/h2-9H,1H3.
What are the key properties of methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate?
methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate has a molecular weight of 352.62 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-bromophenyl)ethenyl]-5-chloropyridine-3-carboxylate is sourced from PubChem (CID 76559939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).