5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine

C12H11BrClN3 — CID 104535476

IUPAC5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C12H11BrClN3/c1-15-9-5-10(7-16-6-9)17-12-4-8(14)2-3-11(12)13/h2-7,15,17H,1H3
InChIKeyJFTDRLQWHKCBGM-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.28
Rot. Bonds3

About 5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine

5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine (PubChem CID 104535476) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
PubChem CID104535476
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C12H11BrClN3/c1-15-9-5-10(7-16-6-9)17-12-4-8(14)2-3-11(12)13/h2-7,15,17H,1H3
InChIKeyJFTDRLQWHKCBGM-UHFFFAOYSA-N
XLogP4.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356
5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532340
5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine
CID 107531788
2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 81271667
5-bromo-N-(2,5-dibromophenyl)pyridin-3-amine
CID 104531609
5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 113423614
5-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 114870498
5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine
CID 104534939
5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535480
5-N-(2,4-dimethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532337
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104533871

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine (CID 104535476) is 5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine is CNc1cncc(Nc2cc(Cl)ccc2Br)c1.
What is the InChIKey of 5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is JFTDRLQWHKCBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-15-9-5-10(7-16-6-9)17-12-4-8(14)2-3-11(12)13/h2-7,15,17H,1H3.
What are the key properties of 5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine?
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 312.60 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104535476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).