3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one

C15H14BrNO2 — CID 161119068

IUPAC3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccc(Br)cc2)cn1
InChIInChI=1S/C15H14BrNO2/c1-19-15-9-5-12(10-17-15)14(18)8-4-11-2-6-13(16)7-3-11/h2-3,5-7,9-10H,4,8H2,1H3
InChIKeyXKVJVYQVRCKTKY-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.67
Rot. Bonds5

About 3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one

3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one (PubChem CID 161119068) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
PubChem CID161119068
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccc(Br)cc2)cn1
InChIInChI=1S/C15H14BrNO2/c1-19-15-9-5-12(10-17-15)14(18)8-4-11-2-6-13(16)7-3-11/h2-3,5-7,9-10H,4,8H2,1H3
InChIKeyXKVJVYQVRCKTKY-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)ethyl 6-methoxypyridine-3-carboxylate
CID 55443983
N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide
CID 167655552
6-(6-methoxy-3-pyridinyl)-6-oxohexanal
CID 130369163
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one
CID 130594890
3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one
CID 103373254
N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 47124570
N-[4-(2-hydroxyethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 61221260
5-bromo-2-methoxypyridine
CID 2734895
6-methoxypyridine-3-carboxylate
CID 7060527
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one?
The IUPAC name of 3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one (CID 161119068) is 3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one is COc1ccc(C(=O)CCc2ccc(Br)cc2)cn1.
What is the InChIKey of 3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one?
The InChIKey is XKVJVYQVRCKTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-19-15-9-5-12(10-17-15)14(18)8-4-11-2-6-13(16)7-3-11/h2-3,5-7,9-10H,4,8H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one?
3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one has a molecular weight of 320.19 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 161119068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).