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

C15H12BrNO2 — CID 122455034

IUPACmethyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C=Cc1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO2/c1-19-15(18)13-3-2-10-17-14(13)9-6-11-4-7-12(16)8-5-11/h2-10H,1H3
InChIKeyVJPIJEMPNFKPJD-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.80
Rot. Bonds3

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

methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate (PubChem CID 122455034) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate
PubChem CID122455034
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Namemethyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C=Cc1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO2/c1-19-15(18)13-3-2-10-17-14(13)9-6-11-4-7-12(16)8-5-11/h2-10H,1H3
InChIKeyVJPIJEMPNFKPJD-UHFFFAOYSA-N
XLogP3.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-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]-5-chloropyridine-3-carboxylate
CID 76559939
2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid
CID 22722084
methyl 2-[(E)-2-cyanoethenyl]pyridine-3-carboxylate
CID 146567718
methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
CID 60722191
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386
2-(3-methoxy-3-oxoprop-1-enyl)pyridine-3-carboxylic acid
CID 169479048
methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate
CID 177204669
(E)-3-(4-bromophenyl)-1-quinolin-8-ylprop-2-en-1-one
CID 102497981
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
methyl 2-(3-bromo-N-methylanilino)pyridine-3-carboxylate
CID 155133935

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate (CID 122455034) is methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate is COC(=O)c1cccnc1C=Cc1ccc(Br)cc1.
What is the InChIKey of methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate?
The InChIKey is VJPIJEMPNFKPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c1-19-15(18)13-3-2-10-17-14(13)9-6-11-4-7-12(16)8-5-11/h2-10H,1H3.
What are the key properties of methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate?
methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate has a molecular weight of 318.17 g/mol, XLogP of 3.80, 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]pyridine-3-carboxylate is sourced from PubChem (CID 122455034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).