4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid

C15H13NO2 — CID 139662210

IUPAC4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid
SMILESC/C(=C/c1ccc(C(=O)O)cc1)c1cccnc1
InChIInChI=1S/C15H13NO2/c1-11(14-3-2-8-16-10-14)9-12-4-6-13(7-5-12)15(17)18/h2-10H,1H3,(H,17,18)/b11-9-
InChIKeyHZFUOWWWJFABBS-LUAWRHEFSA-N
MW239.27 g/mol
LogP3.34
Rot. Bonds3

About 4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid

4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid (PubChem CID 139662210) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid
PubChem CID139662210
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid
SMILESC/C(=C/c1ccc(C(=O)O)cc1)c1cccnc1
InChIInChI=1S/C15H13NO2/c1-11(14-3-2-8-16-10-14)9-12-4-6-13(7-5-12)15(17)18/h2-10H,1H3,(H,17,18)/b11-9-
InChIKeyHZFUOWWWJFABBS-LUAWRHEFSA-N
XLogP3.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine
CID 139780821
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
(2E,4E)-5-pyridin-3-ylhexa-2,4-dienoic acid
CID 116822591
iodoethane;pyridine-3-carboxylic acid
CID 158495952
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
4-aminobenzoic acid;pyridine-3-carboxamide
CID 23082444
silver;bis(pyridine-3-carboxylic acid);perchlorate
CID 139075999
4-pyridin-3-ylsulfanylbenzoic acid
CID 67179275

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid?
The IUPAC name of 4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid (CID 139662210) is 4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid?
The canonical SMILES for 4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid is C/C(=C/c1ccc(C(=O)O)cc1)c1cccnc1.
What is the InChIKey of 4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid?
The InChIKey is HZFUOWWWJFABBS-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11(14-3-2-8-16-10-14)9-12-4-6-13(7-5-12)15(17)18/h2-10H,1H3,(H,17,18)/b11-9-.
What are the key properties of 4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid?
4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid has a molecular weight of 239.27 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid is sourced from PubChem (CID 139662210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).