(2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone

C14H13BrN2O — CID 103083607

IUPAC(2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
SMILESCc1cnc(N)c(C(=O)c2ccc(Br)cc2C)c1
InChIInChI=1S/C14H13BrN2O/c1-8-5-12(14(16)17-7-8)13(18)11-4-3-10(15)6-9(11)2/h3-7H,1-2H3,(H2,16,17)
InChIKeyDXPHRHYAYHKGDC-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.27
Rot. Bonds2

About (2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone

(2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone (PubChem CID 103083607) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is (2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
PubChem CID103083607
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name(2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
SMILESCc1cnc(N)c(C(=O)c2ccc(Br)cc2C)c1
InChIInChI=1S/C14H13BrN2O/c1-8-5-12(14(16)17-7-8)13(18)11-4-3-10(15)6-9(11)2/h3-7H,1-2H3,(H2,16,17)
InChIKeyDXPHRHYAYHKGDC-UHFFFAOYSA-N
XLogP3.27
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
CID 103083606
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
CID 116591815
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone
CID 18405006
N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
CID 62901139
4-bromo-2-methylbenzenecarbothioic S-acid
CID 87286158
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073
1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone?
The IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone (CID 103083607) is (2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone.
What is the SMILES notation for (2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone?
The canonical SMILES for (2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone is Cc1cnc(N)c(C(=O)c2ccc(Br)cc2C)c1.
What is the InChIKey of (2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone?
The InChIKey is DXPHRHYAYHKGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-8-5-12(14(16)17-7-8)13(18)11-4-3-10(15)6-9(11)2/h3-7H,1-2H3,(H2,16,17).
What are the key properties of (2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone?
(2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone has a molecular weight of 305.18 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone is sourced from PubChem (CID 103083607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).