1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one

C14H12BrNO — CID 62551928

IUPAC1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)Cc1ccccc1Br
InChIInChI=1S/C14H12BrNO/c15-14-4-2-1-3-12(14)10-13(17)9-11-5-7-16-8-6-11/h1-8H,9-10H2
InChIKeyQZDVFSRAFUUKOR-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.20
Rot. Bonds4

About 1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one

1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one (PubChem CID 62551928) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one
PubChem CID62551928
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)Cc1ccccc1Br
InChIInChI=1S/C14H12BrNO/c15-14-4-2-1-3-12(14)10-13(17)9-11-5-7-16-8-6-11/h1-8H,9-10H2
InChIKeyQZDVFSRAFUUKOR-UHFFFAOYSA-N
XLogP3.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one
CID 83172582
1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62622512
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
CID 104798805
2-(2-bromophenyl)acetyl bromide
CID 87290551
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62829314
1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one
CID 62828798
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 62828462
1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
CID 63410152
2-(2-bromophenyl)-1-pyridin-3-ylethanone
CID 60797587

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one?
The IUPAC name of 1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one (CID 62551928) is 1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one?
The canonical SMILES for 1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one is O=C(Cc1ccncc1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one?
The InChIKey is QZDVFSRAFUUKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-14-4-2-1-3-12(14)10-13(17)9-11-5-7-16-8-6-11/h1-8H,9-10H2.
What are the key properties of 1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one?
1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one has a molecular weight of 290.16 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 62551928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).