3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine

C12H9Br3N2 — CID 107603071

IUPAC3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2c(Br)cccc2Br)c(Br)c1
InChIInChI=1S/C12H9Br3N2/c1-7-5-10(15)12(16-6-7)17-11-8(13)3-2-4-9(11)14/h2-6H,1H3,(H,16,17)
InChIKeyPROHTWMHCSZROA-UHFFFAOYSA-N
MW420.93 g/mol
LogP5.42
Rot. Bonds2

About 3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine

3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine (PubChem CID 107603071) has the molecular formula C12H9Br3N2 and a molecular weight of 420.93 g/mol. Its IUPAC name is 3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
PubChem CID107603071
Molecular FormulaC12H9Br3N2
Molecular Weight420.93 g/mol
Exact Mass417.83
IUPAC Name3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2c(Br)cccc2Br)c(Br)c1
InChIInChI=1S/C12H9Br3N2/c1-7-5-10(15)12(16-6-7)17-11-8(13)3-2-4-9(11)14/h2-6H,1H3,(H,16,17)
InChIKeyPROHTWMHCSZROA-UHFFFAOYSA-N
XLogP5.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.93
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine
CID 105368107
3-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 105367745
3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine
CID 58028170
3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
CID 84609267
3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine
CID 105368776
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304
3-bromo-N-(3-bromo-5-methyl-2-pyridinyl)quinolin-8-amine
CID 105368110
5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
CID 107603072
3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine (CID 107603071) is 3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine is Cc1cnc(Nc2c(Br)cccc2Br)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine?
The InChIKey is PROHTWMHCSZROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br3N2/c1-7-5-10(15)12(16-6-7)17-11-8(13)3-2-4-9(11)14/h2-6H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine?
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine has a molecular weight of 420.93 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 107603071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).