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

C14H10BrNO — CID 78574297

IUPAC3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1Br)c1cccnc1
InChIInChI=1S/C14H10BrNO/c15-13-6-2-1-4-11(13)7-8-14(17)12-5-3-9-16-10-12/h1-10H
InChIKeyVLVUTXPJSIVXJA-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.74
Rot. Bonds3

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

3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 78574297) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
PubChem CID78574297
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1Br)c1cccnc1
InChIInChI=1S/C14H10BrNO/c15-13-6-2-1-4-11(13)7-8-14(17)12-5-3-9-16-10-12/h1-10H
InChIKeyVLVUTXPJSIVXJA-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

(E)-3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7946379
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
(E)-3-(3-bromo-4-fluorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7514892
acetic acid;copper;bis((E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one)
CID 134081608
4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 53427422
(Z)-4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 167311390
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
(Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 93286349
3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 4227278
(E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 82185423
(E)-3-(4-phenylthiophen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 166186509
3-(3-chlorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 4079633

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of 3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one (CID 78574297) is 3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for 3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for 3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one is O=C(C=Cc1ccccc1Br)c1cccnc1.
What is the InChIKey of 3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is VLVUTXPJSIVXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c15-13-6-2-1-4-11(13)7-8-14(17)12-5-3-9-16-10-12/h1-10H.
What are the key properties of 3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one?
3-(2-bromophenyl)-1-pyridin-3-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 3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 78574297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).