2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one

C15H13BrClNO2 — CID 66699491

IUPAC2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)c2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C15H13BrClNO2/c1-9(12-5-4-11(16)7-13(12)17)15(19)10-3-6-14(20-2)18-8-10/h3-9H,1-2H3
InChIKeyLVOHUMMBJIOGAK-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.49
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one

2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one (PubChem CID 66699491) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
PubChem CID66699491
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)c2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C15H13BrClNO2/c1-9(12-5-4-11(16)7-13(12)17)15(19)10-3-6-14(20-2)18-8-10/h3-9H,1-2H3
InChIKeyLVOHUMMBJIOGAK-UHFFFAOYSA-N
XLogP4.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-3-carboxamide
CID 134016007
2-bromo-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 167489531
7-[2-(4-bromo-2-chlorophenyl)propanoyl]-1-methylpyrido[2,3-b][1,4]oxazin-2-one
CID 67547614
N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 47124570
N-(4-bromo-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
CID 134017875
5-bromo-2-methoxypyridine
CID 2734895
methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
CID 162344269
6-methoxypyridine-3-carboxylate
CID 7060527
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
CID 161119068
(2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 37309340

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one (CID 66699491) is 2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one is COc1ccc(C(=O)C(C)c2ccc(Br)cc2Cl)cn1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one?
The InChIKey is LVOHUMMBJIOGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9(12-5-4-11(16)7-13(12)17)15(19)10-3-6-14(20-2)18-8-10/h3-9H,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one?
2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one has a molecular weight of 354.63 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 66699491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).