3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine

C12H9Br2ClN2 — CID 107638006

IUPAC3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine
SMILESCc1c(Br)cccc1Nc1ncc(Cl)cc1Br
InChIInChI=1S/C12H9Br2ClN2/c1-7-9(13)3-2-4-11(7)17-12-10(14)5-8(15)6-16-12/h2-6H,1H3,(H,16,17)
InChIKeyVVDJHPGMCRCLAK-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.31
Rot. Bonds2

About 3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine

3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine (PubChem CID 107638006) has the molecular formula C12H9Br2ClN2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine
PubChem CID107638006
Molecular FormulaC12H9Br2ClN2
Molecular Weight376.48 g/mol
Exact Mass373.88
IUPAC Name3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine
SMILESCc1c(Br)cccc1Nc1ncc(Cl)cc1Br
InChIInChI=1S/C12H9Br2ClN2/c1-7-9(13)3-2-4-11(7)17-12-10(14)5-8(15)6-16-12/h2-6H,1H3,(H,16,17)
InChIKeyVVDJHPGMCRCLAK-UHFFFAOYSA-N
XLogP5.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
3-bromo-5-chloro-N-(4-methyl-3-pyridinyl)pyridin-2-amine
CID 114837095
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107636939
3-N-(3-bromo-5-chloro-2-pyridinyl)benzene-1,3-diamine
CID 114835563
3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 114837222
3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 114836594
3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
CID 107638555
3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 114836581
3-bromo-5-chloro-N-(2-chloro-6-fluorophenyl)pyridin-2-amine
CID 114837428
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine (CID 107638006) is 3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine is Cc1c(Br)cccc1Nc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine?
The InChIKey is VVDJHPGMCRCLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2/c1-7-9(13)3-2-4-11(7)17-12-10(14)5-8(15)6-16-12/h2-6H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine?
3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine has a molecular weight of 376.48 g/mol, XLogP of 5.31, 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-bromo-2-methylphenyl)-5-chloropyridin-2-amine is sourced from PubChem (CID 107638006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).