(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one

C14H10ClNO — CID 92856000

IUPAC(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO/c15-12-6-4-11(5-7-12)14(17)9-8-13-3-1-2-10-16-13/h1-10H/b9-8-
InChIKeyJNQTUTAQTWGYEM-HJWRWDBZSA-N
MW243.69 g/mol
LogP3.63
Rot. Bonds3

About (Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one

(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 92856000) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
PubChem CID92856000
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO/c15-12-6-4-11(5-7-12)14(17)9-8-13-3-1-2-10-16-13/h1-10H/b9-8-
InChIKeyJNQTUTAQTWGYEM-HJWRWDBZSA-N
XLogP3.63
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 3292603
ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
CID 91594762
(2S)-2-(4-chlorophenyl)-3-methyl-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]butanamide
CID 7762141
(2R)-2-(4-chlorophenyl)-3-methyl-N-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]butanamide
CID 7762152
(E)-1-[4-(3-chloropropoxy)phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 59036158
1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 84906464
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
(E)-3-pyridin-2-yl-1-[6-[(E)-3-pyridin-2-ylprop-2-enoyl]-2-pyridinyl]prop-2-en-1-one
CID 6008977
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
(E)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-pyridin-2-ylprop-2-enamide
CID 56816677
2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride
CID 45048250
1-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 5240637

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one (CID 92856000) is (Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one is O=C(/C=C\c1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one?
The InChIKey is JNQTUTAQTWGYEM-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-12-6-4-11(5-7-12)14(17)9-8-13-3-1-2-10-16-13/h1-10H/b9-8-.
What are the key properties of (Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one?
(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 243.69 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 92856000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).