(5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone

C13H11BrN2O — CID 75406822

IUPAC(5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)c1cncc(Br)c1C
InChIInChI=1S/C13H11BrN2O/c1-8-3-4-15-5-10(8)13(17)11-6-16-7-12(14)9(11)2/h3-7H,1-2H3
InChIKeyRZLXOUDPEQJQQR-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.09
Rot. Bonds2

About (5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone

(5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 75406822) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is (5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone
PubChem CID75406822
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name(5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)c1cncc(Br)c1C
InChIInChI=1S/C13H11BrN2O/c1-8-3-4-15-5-10(8)13(17)11-6-16-7-12(14)9(11)2/h3-7H,1-2H3
InChIKeyRZLXOUDPEQJQQR-UHFFFAOYSA-N
XLogP3.09
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-chlorophenyl)-(4-methyl-3-pyridinyl)methanone
CID 107996490
(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877543
(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 114877527
4-methylpyridine-3-carbonyl chloride
CID 22386188
1-(4-methyl-3-pyridinyl)prop-2-en-1-one
CID 112704889
(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 115781346
3-bromo-4-methylpyridine;ethane
CID 143472846
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
methyl 4-methylpyridine-3-carboxylate
CID 10877301
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124905
(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 114877477
(Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one
CID 103447311

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone (CID 75406822) is (5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)c1cncc(Br)c1C.
What is the InChIKey of (5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is RZLXOUDPEQJQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-8-3-4-15-5-10(8)13(17)11-6-16-7-12(14)9(11)2/h3-7H,1-2H3.
What are the key properties of (5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone?
(5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 291.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 75406822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).