(3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone

C13H9BrClNO — CID 107944693

IUPAC(3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C13H9BrClNO/c1-8-2-10(7-16-6-8)13(17)9-3-11(14)5-12(15)4-9/h2-7H,1H3
InChIKeyHWWXHXFPWXLTEO-UHFFFAOYSA-N
MW310.58 g/mol
LogP4.04
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone

(3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 107944693) has the molecular formula C13H9BrClNO and a molecular weight of 310.58 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone
PubChem CID107944693
Molecular FormulaC13H9BrClNO
Molecular Weight310.58 g/mol
Exact Mass308.96
IUPAC Name(3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C13H9BrClNO/c1-8-2-10(7-16-6-8)13(17)9-3-11(14)5-12(15)4-9/h2-7H,1H3
InChIKeyHWWXHXFPWXLTEO-UHFFFAOYSA-N
XLogP4.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115374080
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 114019744
(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone
CID 113297046
N-(3,5-dichlorophenyl)-5-methylpyridine-3-carboxamide
CID 143700451
4-(3-bromo-5-chlorobenzoyl)-1H-pyrrole-2-carboxylic acid
CID 107949739
(3-bromo-5-chlorophenyl)-(2-methylphenyl)methanone
CID 107944273
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone
CID 105130996
3-bromo-5-chlorobenzoyl chloride
CID 50998129
(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 43167215

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone (CID 107944693) is (3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)c2cc(Cl)cc(Br)c2)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is HWWXHXFPWXLTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO/c1-8-2-10(7-16-6-8)13(17)9-3-11(14)5-12(15)4-9/h2-7H,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone?
(3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 310.58 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 107944693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).