(2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone

C13H11BrN2O — CID 125388533

IUPAC(2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)c2cc(Br)ccc2N)n1
InChIInChI=1S/C13H11BrN2O/c1-8-3-2-4-12(16-8)13(17)10-7-9(14)5-6-11(10)15/h2-7H,15H2,1H3
InChIKeyYTAWJQAWXFGXFP-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.97
Rot. Bonds2

About (2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone

(2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone (PubChem CID 125388533) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone
PubChem CID125388533
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name(2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)c2cc(Br)ccc2N)n1
InChIInChI=1S/C13H11BrN2O/c1-8-3-2-4-12(16-8)13(17)10-7-9(14)5-6-11(10)15/h2-7H,15H2,1H3
InChIKeyYTAWJQAWXFGXFP-UHFFFAOYSA-N
XLogP2.97
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone
CID 79742364
(2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone
CID 82697228
(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 25257909
(4-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 63554344
N-(2-amino-4-bromo-6-methylphenyl)-6-methylpyridine-2-carboxamide
CID 43550019
N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 47317681
(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 113370085
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 82703996
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone
CID 12623269

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of (2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone (CID 125388533) is (2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for (2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)c2cc(Br)ccc2N)n1.
What is the InChIKey of (2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone?
The InChIKey is YTAWJQAWXFGXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-8-3-2-4-12(16-8)13(17)10-7-9(14)5-6-11(10)15/h2-7H,15H2,1H3.
What are the key properties of (2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone?
(2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone has a molecular weight of 291.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 125388533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).