1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one

C14H10BrNO — CID 3292603

IUPAC1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrNO/c15-12-6-4-11(5-7-12)14(17)9-8-13-3-1-2-10-16-13/h1-10H
InChIKeyWVOAMWRGHDACHC-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.74
Rot. Bonds3

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

1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 3292603) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
PubChem CID3292603
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrNO/c15-12-6-4-11(5-7-12)14(17)9-8-13-3-1-2-10-16-13/h1-10H
InChIKeyWVOAMWRGHDACHC-UHFFFAOYSA-N
XLogP3.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.74
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

(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92856000
ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
CID 91594762
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
(E)-1-[4-(3-chloropropoxy)phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 59036158
(E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 102588923
(E)-3-pyridin-2-yl-1-[6-[(E)-3-pyridin-2-ylprop-2-enoyl]-2-pyridinyl]prop-2-en-1-one
CID 6008977
2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride
CID 45048250
3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one
CID 68666739
CID 11573267
CID 11573267
(E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 6244990
4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751018
(E)-3-pyridin-2-yl-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
CID 170746428

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one (CID 3292603) is 1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one is O=C(C=Cc1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one?
The InChIKey is WVOAMWRGHDACHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c15-12-6-4-11(5-7-12)14(17)9-8-13-3-1-2-10-16-13/h1-10H.
What are the key properties of 1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one?
1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 288.14 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 3292603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).