3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine

C12H9BrCl2N2 — CID 84609267

IUPAC3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C12H9BrCl2N2/c1-7-2-11(13)12(16-6-7)17-10-4-8(14)3-9(15)5-10/h2-6H,1H3,(H,16,17)
InChIKeyYOGGXRVEWPZRMA-UHFFFAOYSA-N
MW332.03 g/mol
LogP5.20
Rot. Bonds2

About 3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine

3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine (PubChem CID 84609267) has the molecular formula C12H9BrCl2N2 and a molecular weight of 332.03 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
PubChem CID84609267
Molecular FormulaC12H9BrCl2N2
Molecular Weight332.03 g/mol
Exact Mass329.93
IUPAC Name3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C12H9BrCl2N2/c1-7-2-11(13)12(16-6-7)17-10-4-8(14)3-9(15)5-10/h2-6H,1H3,(H,16,17)
InChIKeyYOGGXRVEWPZRMA-UHFFFAOYSA-N
XLogP5.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.03
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071
3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine
CID 107607834
3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine
CID 105368776
3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine
CID 105367742
3-bromo-5-chloro-N-(3,5-difluorophenyl)pyridin-2-amine
CID 114836633
3-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine
CID 105368107
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine
CID 105367588
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyridin-2-amine
CID 84604430
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 105367745
5-bromo-3-chloro-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 103583097

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine (CID 84609267) is 3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine is Cc1cnc(Nc2cc(Cl)cc(Cl)c2)c(Br)c1.
What is the InChIKey of 3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine?
The InChIKey is YOGGXRVEWPZRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2/c1-7-2-11(13)12(16-6-7)17-10-4-8(14)3-9(15)5-10/h2-6H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine?
3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine has a molecular weight of 332.03 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 84609267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).