3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one

C14H12BrCl2NO — CID 160824374

IUPAC3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one
SMILESBrc1cccnc1.CC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O.C5H4BrN/c1-6(12)4-7-2-3-8(10)5-9(7)11;6-5-2-1-3-7-4-5/h2-3,5H,4H2,1H3;1-4H
InChIKeySFYUEDWYCRTOPM-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.97
Rot. Bonds2

About 3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one

3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one (PubChem CID 160824374) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is 3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one.

Molecular Properties

Compound Name3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one
PubChem CID160824374
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one
SMILESBrc1cccnc1.CC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O.C5H4BrN/c1-6(12)4-7-2-3-8(10)5-9(7)11;6-5-2-1-3-7-4-5/h2-3,5H,4H2,1H3;1-4H
InChIKeySFYUEDWYCRTOPM-UHFFFAOYSA-N
XLogP4.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one?
The IUPAC name of 3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one (CID 160824374) is 3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one.
What is the SMILES notation for 3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one?
The canonical SMILES for 3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one is Brc1cccnc1.CC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one?
The InChIKey is SFYUEDWYCRTOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O.C5H4BrN/c1-6(12)4-7-2-3-8(10)5-9(7)11;6-5-2-1-3-7-4-5/h2-3,5H,4H2,1H3;1-4H.
What are the key properties of 3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one?
3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one has a molecular weight of 361.07 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one is sourced from PubChem (CID 160824374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).