3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid

C17H15NO2 — CID 135158126

IUPAC3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid
SMILESC=C/C=C\c1c(C(=O)O)cc(-c2ccccc2)nc1C
InChIInChI=1S/C17H15NO2/c1-3-4-10-14-12(2)18-16(11-15(14)17(19)20)13-8-6-5-7-9-13/h3-11H,1H2,2H3,(H,19,20)/b10-4-
InChIKeyRQKQBCMTONONPB-WMZJFQQLSA-N
MW265.31 g/mol
LogP3.95
Rot. Bonds4

About 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid

3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid (PubChem CID 135158126) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid
PubChem CID135158126
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid
SMILESC=C/C=C\c1c(C(=O)O)cc(-c2ccccc2)nc1C
InChIInChI=1S/C17H15NO2/c1-3-4-10-14-12(2)18-16(11-15(14)17(19)20)13-8-6-5-7-9-13/h3-11H,1H2,2H3,(H,19,20)/b10-4-
InChIKeyRQKQBCMTONONPB-WMZJFQQLSA-N
XLogP3.95
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic 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-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-ethenyl-5-phenylbenzene-1,3-dicarboxylic acid
CID 175572544
2-[(1E)-buta-1,3-dienyl]benzoic acid
CID 20520746
4-methyl-6-phenylpyrimidine-2-carboxylic acid
CID 12846711
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methyl-6-phenylpyrimidine
CID 137386271
8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid
CID 71039932
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54333176
3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620009
3-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54097224

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid (CID 135158126) is 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid is C=C/C=C\c1c(C(=O)O)cc(-c2ccccc2)nc1C.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid?
The InChIKey is RQKQBCMTONONPB-WMZJFQQLSA-N. The full InChI is InChI=1S/C17H15NO2/c1-3-4-10-14-12(2)18-16(11-15(14)17(19)20)13-8-6-5-7-9-13/h3-11H,1H2,2H3,(H,19,20)/b10-4-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid?
3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-2-methyl-6-phenylpyridine-4-carboxylic acid is sourced from PubChem (CID 135158126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).