(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone

C13H9Br2NO — CID 107976815

IUPAC(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cc(Br)cc(Br)c2)cn1
InChIInChI=1S/C13H9Br2NO/c1-8-2-3-9(7-16-8)13(17)10-4-11(14)6-12(15)5-10/h2-7H,1H3
InChIKeyMUUTYAIPJLEMAN-UHFFFAOYSA-N
MW355.03 g/mol
LogP4.15
Rot. Bonds2

About (3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone

(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 107976815) has the molecular formula C13H9Br2NO and a molecular weight of 355.03 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
PubChem CID107976815
Molecular FormulaC13H9Br2NO
Molecular Weight355.03 g/mol
Exact Mass352.91
IUPAC Name(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cc(Br)cc(Br)c2)cn1
InChIInChI=1S/C13H9Br2NO/c1-8-2-3-9(7-16-8)13(17)10-4-11(14)6-12(15)5-10/h2-7H,1H3
InChIKeyMUUTYAIPJLEMAN-UHFFFAOYSA-N
XLogP4.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.03
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 176552178
(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116609756
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103376
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116548510
(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone
CID 103214088
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718
(3,5-dibromophenyl)-pyridin-4-ylmethanone
CID 19711365
(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107979582
(3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone
CID 105098784
(3-bromo-5-methylphenyl)-quinolin-3-ylmethanone
CID 114963114

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone (CID 107976815) is (3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2cc(Br)cc(Br)c2)cn1.
What is the InChIKey of (3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is MUUTYAIPJLEMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO/c1-8-2-3-9(7-16-8)13(17)10-4-11(14)6-12(15)5-10/h2-7H,1H3.
What are the key properties of (3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone?
(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 355.03 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 107976815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).