1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one

C14H10ClNO — CID 141150600

IUPAC1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cccnc1Cl
InChIInChI=1S/C14H10ClNO/c15-14-12(7-4-10-16-14)13(17)9-8-11-5-2-1-3-6-11/h1-10H
InChIKeyJODOLHFBLKJKBR-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.63
Rot. Bonds3

About 1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one

1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one (PubChem CID 141150600) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one
PubChem CID141150600
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cccnc1Cl
InChIInChI=1S/C14H10ClNO/c15-14-12(7-4-10-16-14)13(17)9-8-11-5-2-1-3-6-11/h1-10H
InChIKeyJODOLHFBLKJKBR-UHFFFAOYSA-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 71726330
1-(2-chloro-3-pyridinyl)but-2-en-1-one
CID 78128433
1-[2-(4,5-dichloro-2-methoxyphenoxy)-3-pyridinyl]-3-phenylprop-2-en-1-one
CID 54200602
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
1-[2,3-bis(3-phenylprop-2-enoyl)phenyl]-3-phenylprop-2-en-1-one
CID 142713013
1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 174535088
1-(4,5-dichloro-2-methylphenyl)-3-phenylprop-2-en-1-one
CID 54190912
(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 146010544
4-[(E)-3-phenylprop-2-enoyl]naphthalene-1,8-dicarboxylic acid
CID 11359948
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
methyl 2-[(E)-3-phenylprop-2-enoyl]benzoate
CID 10333131

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one (CID 141150600) is 1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one?
The InChIKey is JODOLHFBLKJKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-14-12(7-4-10-16-14)13(17)9-8-11-5-2-1-3-6-11/h1-10H.
What are the key properties of 1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one?
1-(2-chloro-3-pyridinyl)-3-phenylprop-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 1-(2-chloro-3-pyridinyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 141150600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).