5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine

C13H12BrClN2 — CID 107638028

IUPAC5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine
SMILESCc1ccc(Cl)c(Nc2cc(C)c(Br)cn2)c1
InChIInChI=1S/C13H12BrClN2/c1-8-3-4-11(15)12(5-8)17-13-6-9(2)10(14)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyIWRIGOCBCHBLKM-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.86
Rot. Bonds2

About 5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine

5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine (PubChem CID 107638028) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine
PubChem CID107638028
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC Name5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine
SMILESCc1ccc(Cl)c(Nc2cc(C)c(Br)cn2)c1
InChIInChI=1S/C13H12BrClN2/c1-8-3-4-11(15)12(5-8)17-13-6-9(2)10(14)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyIWRIGOCBCHBLKM-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-bromo-5-methylphenyl)-4-methylpyridin-2-amine
CID 114870518
5-bromo-N-(2,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 114870190
5-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 114870498
4-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003619
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 107645866
5-bromo-N-(2-bromo-4-fluorophenyl)-4-methylpyridin-2-amine
CID 114870130
N-(2-bromo-4-methylphenyl)-5-chloropyridin-2-amine
CID 66220531
5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine
CID 115146961
5-bromo-N-(5-chlorothiophen-2-yl)-4-methylpyridin-2-amine
CID 115146964
5-bromo-N-(2-ethylphenyl)-4-methylpyridin-2-amine
CID 114870208
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine (CID 107638028) is 5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine is Cc1ccc(Cl)c(Nc2cc(C)c(Br)cn2)c1.
What is the InChIKey of 5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine?
The InChIKey is IWRIGOCBCHBLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c1-8-3-4-11(15)12(5-8)17-13-6-9(2)10(14)7-16-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine?
5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine has a molecular weight of 311.61 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 107638028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).