2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid

C23H15Br2NO4 — CID 11763161

IUPAC2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(/C=C/c2ccccc2Br)nc1/C=C/c1ccccc1Br
InChIInChI=1S/C23H15Br2NO4/c24-18-7-3-1-5-14(18)9-11-20-16(22(27)28)13-17(23(29)30)21(26-20)12-10-15-6-2-4-8-19(15)25/h1-13H,(H,27,28)(H,29,30)/b11-9+,12-10+
InChIKeyRNJHLJHEPWCLOQ-WGDLNXRISA-N
MW529.18 g/mol
LogP6.34
Rot. Bonds6

About 2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid

2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid (PubChem CID 11763161) has the molecular formula C23H15Br2NO4 and a molecular weight of 529.18 g/mol. Its IUPAC name is 2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid
PubChem CID11763161
Molecular FormulaC23H15Br2NO4
Molecular Weight529.18 g/mol
Exact Mass526.94
IUPAC Name2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(/C=C/c2ccccc2Br)nc1/C=C/c1ccccc1Br
InChIInChI=1S/C23H15Br2NO4/c24-18-7-3-1-5-14(18)9-11-20-16(22(27)28)13-17(23(29)30)21(26-20)12-10-15-6-2-4-8-19(15)25/h1-13H,(H,27,28)(H,29,30)/b11-9+,12-10+
InChIKeyRNJHLJHEPWCLOQ-WGDLNXRISA-N
XLogP6.34
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.18
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid 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

2-[2-(2-bromophenyl)ethenyl]benzoic acid
CID 54475842
(E)-3-(2-bromophenyl)prop-2-enoic acid
CID 688321
2-[3-(2-bromophenyl)prop-2-enoylamino]pyridine-3-carboxylic acid
CID 77003733
2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid
CID 54524899
methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
CID 14690852
2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-4-chlorobenzoic acid
CID 23292169
2-bromo-4-(2-phenylethenyl)benzoic acid
CID 57235954
2-(2-bromophenyl)ethenol
CID 174465941
1-bromo-2-[(E)-2-(3-bromophenyl)ethenyl]benzene
CID 10315048
4-[(Z)-2-(2-bromophenyl)ethenyl]pyridine;hydrochloride
CID 54611204
5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
CID 54231084
6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16772352

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid (CID 11763161) is 2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid is O=C(O)c1cc(C(=O)O)c(/C=C/c2ccccc2Br)nc1/C=C/c1ccccc1Br.
What is the InChIKey of 2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid?
The InChIKey is RNJHLJHEPWCLOQ-WGDLNXRISA-N. The full InChI is InChI=1S/C23H15Br2NO4/c24-18-7-3-1-5-14(18)9-11-20-16(22(27)28)13-17(23(29)30)21(26-20)12-10-15-6-2-4-8-19(15)25/h1-13H,(H,27,28)(H,29,30)/b11-9+,12-10+.
What are the key properties of 2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid?
2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid has a molecular weight of 529.18 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(E)-2-(2-bromophenyl)ethenyl]pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 11763161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).