(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone

C12H6BrCl2NO — CID 43167215

IUPAC(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone
SMILESO=C(c1cncc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H6BrCl2NO/c13-9-3-8(5-16-6-9)12(17)7-1-2-10(14)11(15)4-7/h1-6H
InChIKeyBWWBFCHQVPRMBD-UHFFFAOYSA-N
MW331.00 g/mol
LogP4.38
Rot. Bonds2

About (5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone

(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone (PubChem CID 43167215) has the molecular formula C12H6BrCl2NO and a molecular weight of 331.00 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone
PubChem CID43167215
Molecular FormulaC12H6BrCl2NO
Molecular Weight331.00 g/mol
Exact Mass328.90
IUPAC Name(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone
SMILESO=C(c1cncc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H6BrCl2NO/c13-9-3-8(5-16-6-9)12(17)7-1-2-10(14)11(15)4-7/h1-6H
InChIKeyBWWBFCHQVPRMBD-UHFFFAOYSA-N
XLogP4.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.00
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(5-bromo-3-pyridinyl)methanone
CID 150630113
(5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone
CID 43167259
(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161073
3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
CID 28675243
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
CID 43338411
(5-bromo-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971979
(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone
CID 2758085
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
(3,4-dichlorophenyl)-(3-hydroxyphenyl)methanone
CID 12639783
(3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 107944693
(5-bromo-3-pyridinyl)-[4-(2-tert-butylsilyloxypropan-2-yl)phenyl]methanone
CID 137329421

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone (CID 43167215) is (5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone is O=C(c1cncc(Br)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone?
The InChIKey is BWWBFCHQVPRMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2NO/c13-9-3-8(5-16-6-9)12(17)7-1-2-10(14)11(15)4-7/h1-6H.
What are the key properties of (5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone?
(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone has a molecular weight of 331.00 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 43167215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).