5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine

C12H12BrN3 — CID 104532356

IUPAC5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2ccccc2Br)c1
InChIInChI=1S/C12H12BrN3/c1-14-9-6-10(8-15-7-9)16-12-5-3-2-4-11(12)13/h2-8,14,16H,1H3
InChIKeyCNZJYRODUNKAAR-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.63
Rot. Bonds3

About 5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine

5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine (PubChem CID 104532356) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
PubChem CID104532356
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2ccccc2Br)c1
InChIInChI=1S/C12H12BrN3/c1-14-9-6-10(8-15-7-9)16-12-5-3-2-4-11(12)13/h2-8,14,16H,1H3
InChIKeyCNZJYRODUNKAAR-UHFFFAOYSA-N
XLogP3.63
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-bromophenyl)pyridine-3,5-diamine
CID 104532355
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104535476
5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532392
5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104533871
5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535480
5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242069
5-N-(2,4-dimethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532337
3-bromo-N-(5-methyl-3-pyridinyl)pyridin-4-amine
CID 107586507
5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 107638767
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
CID 113424113
5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine
CID 104534939

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine (CID 104532356) is 5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine is CNc1cncc(Nc2ccccc2Br)c1.
What is the InChIKey of 5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is CNZJYRODUNKAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-14-9-6-10(8-15-7-9)16-12-5-3-2-4-11(12)13/h2-8,14,16H,1H3.
What are the key properties of 5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine?
5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 278.15 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104532356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).