(Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one

C14H11FN2O — CID 142601724

IUPAC(Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C\Nc1cccc(F)c1)c1ccccn1
InChIInChI=1S/C14H11FN2O/c15-11-4-3-5-12(10-11)16-9-7-14(18)13-6-1-2-8-17-13/h1-10,16H/b9-7-
InChIKeyKDPJEJBOIUPQOQ-CLFYSBASSA-N
MW242.25 g/mol
LogP3.03
Rot. Bonds4

About (Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one

(Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one (PubChem CID 142601724) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is (Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one
PubChem CID142601724
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name(Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C\Nc1cccc(F)c1)c1ccccn1
InChIInChI=1S/C14H11FN2O/c15-11-4-3-5-12(10-11)16-9-7-14(18)13-6-1-2-8-17-13/h1-10,16H/b9-7-
InChIKeyKDPJEJBOIUPQOQ-CLFYSBASSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one 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

(E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126184239
(Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 41098843
(E)-3-(2-iodoanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 2260334
(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 71307712
(E)-3-(2-methylpropylamino)-1-pyridin-2-ylprop-2-en-1-one
CID 23591196
2-[(Z)-2-cyano-1-(3-fluoroanilino)-2-pyridin-2-ylethenyl]sulfanylacetamide
CID 139792323
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
(Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 5310821
ethane;(Z)-3-(3-hydroxyanilino)-1-phenylprop-2-en-1-one
CID 145409740
3-(3-ethoxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 3931527
3-(3-aminophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 3049495
3-fluoro-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4824000

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one (CID 142601724) is (Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one is O=C(/C=C\Nc1cccc(F)c1)c1ccccn1.
What is the InChIKey of (Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one?
The InChIKey is KDPJEJBOIUPQOQ-CLFYSBASSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-11-4-3-5-12(10-11)16-9-7-14(18)13-6-1-2-8-17-13/h1-10,16H/b9-7-.
What are the key properties of (Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one?
(Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one has a molecular weight of 242.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 142601724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).