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

C13H14BrN3 — CID 115147920

IUPAC2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)c1cccc(Br)c1
InChIInChI=1S/C13H14BrN3/c1-9-6-11(15)8-16-13(9)17(2)12-5-3-4-10(14)7-12/h3-8H,15H2,1-2H3
InChIKeyCXPQDTZYHHUROC-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.50
Rot. Bonds2

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

2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine (PubChem CID 115147920) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine
PubChem CID115147920
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)c1cccc(Br)c1
InChIInChI=1S/C13H14BrN3/c1-9-6-11(15)8-16-13(9)17(2)12-5-3-4-10(14)7-12/h3-8H,15H2,1-2H3
InChIKeyCXPQDTZYHHUROC-UHFFFAOYSA-N
XLogP3.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3,4-dimethylphenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147871
2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine
CID 115147909
2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147885
5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 115147912
2-N,3-dimethyl-2-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-2,5-diamine
CID 115147916
2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine
CID 115147926
2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147985
5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine
CID 115148547
N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
CID 79712553
N-(3-bromophenyl)-N,2-dimethylaniline
CID 146003911
5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148484
5-[amino(phenyl)methyl]-N,3-dimethyl-N-phenylpyridin-2-amine
CID 102544727

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine (CID 115147920) is 2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine is Cc1cc(N)cnc1N(C)c1cccc(Br)c1.
What is the InChIKey of 2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine?
The InChIKey is CXPQDTZYHHUROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-6-11(15)8-16-13(9)17(2)12-5-3-4-10(14)7-12/h3-8H,15H2,1-2H3.
What are the key properties of 2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine?
2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine has a molecular weight of 292.18 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).