5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine

C14H16BrN3 — CID 82094933

IUPAC5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine
SMILESCc1cc(C)c(Nc2ncc(Br)cc2N)c(C)c1
InChIInChI=1S/C14H16BrN3/c1-8-4-9(2)13(10(3)5-8)18-14-12(16)6-11(15)7-17-14/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyKMTMTKFPAVECGO-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.10
Rot. Bonds2

About 5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine

5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine (PubChem CID 82094933) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine
PubChem CID82094933
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine
SMILESCc1cc(C)c(Nc2ncc(Br)cc2N)c(C)c1
InChIInChI=1S/C14H16BrN3/c1-8-4-9(2)13(10(3)5-8)18-14-12(16)6-11(15)7-17-14/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyKMTMTKFPAVECGO-UHFFFAOYSA-N
XLogP4.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine
CID 61228858
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-3-chloropyridin-2-amine
CID 103583373
5-bromo-2-hydrazinylpyridin-3-amine
CID 139593186
5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 66481516
5-bromo-2-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-2,3-diamine
CID 114052101
5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine
CID 55188251
5-bromo-2-N-(3,4-difluorophenyl)pyridine-2,3-diamine
CID 61228857
4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80847198
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 61229242
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
2-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-2,5-diamine
CID 102768620
5-bromo-3-chloro-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 103583097

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine (CID 82094933) is 5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine is Cc1cc(C)c(Nc2ncc(Br)cc2N)c(C)c1.
What is the InChIKey of 5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine?
The InChIKey is KMTMTKFPAVECGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-8-4-9(2)13(10(3)5-8)18-14-12(16)6-11(15)7-17-14/h4-7H,16H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine?
5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine has a molecular weight of 306.21 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 82094933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).