1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one

C14H11BrClNO — CID 107957027

IUPAC1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one
SMILESCC(C(=O)c1cc(Cl)cc(Br)c1)c1ccncc1
InChIInChI=1S/C14H11BrClNO/c1-9(10-2-4-17-5-3-10)14(18)11-6-12(15)8-13(16)7-11/h2-9H,1H3
InChIKeyDRLCEKQQJGHWGR-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.48
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one

1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one (PubChem CID 107957027) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one
PubChem CID107957027
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one
SMILESCC(C(=O)c1cc(Cl)cc(Br)c1)c1ccncc1
InChIInChI=1S/C14H11BrClNO/c1-9(10-2-4-17-5-3-10)14(18)11-6-12(15)8-13(16)7-11/h2-9H,1H3
InChIKeyDRLCEKQQJGHWGR-UHFFFAOYSA-N
XLogP4.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4'-Chlorobenzoyl)pyridine
CID 98503
Methanone, (4-bromophenyl)-4-pyridinyl-
CID 766506
(E)-1-(3-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 13606099
(E)-1-(3-bromophenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 17408359
(E)-1-(3-bromophenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 19550936
(E)-1-(3-chlorophenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 40700815
4-Bromophenyl 3-pyridyl ketone
CID 84519
Methanone, (6-chloro-3-pyridinyl)phenyl-
CID 3061713
1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide
CID 2847599
(E)-1-(4-bromophenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 12352650
4-Chlorophenyl pyridin-3-yl ketone
CID 84518
1-(4-Chlorophenyl)-3-(4-pyridyl)-2-propene-1-one
CID 10354441

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one (CID 107957027) is 1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one is CC(C(=O)c1cc(Cl)cc(Br)c1)c1ccncc1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one?
The InChIKey is DRLCEKQQJGHWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c1-9(10-2-4-17-5-3-10)14(18)11-6-12(15)8-13(16)7-11/h2-9H,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one?
1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one has a molecular weight of 324.61 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 107957027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).