2-pyridin-4-ylprop-2-enoic acid

C8H7NO2 — CID 19966870

IUPAC2-pyridin-4-ylprop-2-enoic acid
SMILESC=C(C(=O)O)c1ccncc1
InChIInChI=1S/C8H7NO2/c1-6(8(10)11)7-2-4-9-5-3-7/h2-5H,1H2,(H,10,11)
InChIKeyUOMVTSKUYLDFKD-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.18
Rot. Bonds2

About 2-pyridin-4-ylprop-2-enoic acid

2-pyridin-4-ylprop-2-enoic acid (PubChem CID 19966870) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-pyridin-4-ylprop-2-enoic acid.

Molecular Properties

Compound Name2-pyridin-4-ylprop-2-enoic acid
PubChem CID19966870
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2-pyridin-4-ylprop-2-enoic acid
SMILESC=C(C(=O)O)c1ccncc1
InChIInChI=1S/C8H7NO2/c1-6(8(10)11)7-2-4-9-5-3-7/h2-5H,1H2,(H,10,11)
InChIKeyUOMVTSKUYLDFKD-UHFFFAOYSA-N
XLogP1.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 159091938
CID 159091938
ethane;2-phenylprop-2-enoic acid
CID 142472843
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
2-phenylprop-2-enoic acid;prop-2-enoic acid
CID 70022748
2,4-dioxo-4-pyridin-4-ylbutanoic acid
CID 516697
N-(1-pyridin-4-ylethenyl)acetamide
CID 131985991
benzamide;pyridine-4-carboxamide
CID 175267661
pyridine;pyridine-4-carboxamide
CID 70513287
4-[1-[3,5-bis(1-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
CID 90806125
2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone
CID 162307766
hydrazinecarboxylic acid;pyridine-4-carboxylic acid
CID 161178249
hydroxymethyl pyridine-4-carboxylate
CID 139367391

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylprop-2-enoic acid?
The IUPAC name of 2-pyridin-4-ylprop-2-enoic acid (CID 19966870) is 2-pyridin-4-ylprop-2-enoic acid.
What is the SMILES notation for 2-pyridin-4-ylprop-2-enoic acid?
The canonical SMILES for 2-pyridin-4-ylprop-2-enoic acid is C=C(C(=O)O)c1ccncc1.
What is the InChIKey of 2-pyridin-4-ylprop-2-enoic acid?
The InChIKey is UOMVTSKUYLDFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-6(8(10)11)7-2-4-9-5-3-7/h2-5H,1H2,(H,10,11).
What are the key properties of 2-pyridin-4-ylprop-2-enoic acid?
2-pyridin-4-ylprop-2-enoic acid has a molecular weight of 149.15 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylprop-2-enoic acid is sourced from PubChem (CID 19966870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).