3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine

C13H13BrN2 — CID 104777947

IUPAC3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine
SMILESCc1ccc(C)c(Nc2ccncc2Br)c1
InChIInChI=1S/C13H13BrN2/c1-9-3-4-10(2)13(7-9)16-12-5-6-15-8-11(12)14/h3-8H,1-2H3,(H,15,16)
InChIKeyAGILKBFNUDLRAF-UHFFFAOYSA-N
MW277.17 g/mol
LogP4.20
Rot. Bonds2

About 3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine

3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine (PubChem CID 104777947) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine
PubChem CID104777947
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine
SMILESCc1ccc(C)c(Nc2ccncc2Br)c1
InChIInChI=1S/C13H13BrN2/c1-9-3-4-10(2)13(7-9)16-12-5-6-15-8-11(12)14/h3-8H,1-2H3,(H,15,16)
InChIKeyAGILKBFNUDLRAF-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(5-methyl-3-pyridinyl)pyridin-4-amine
CID 107586507
3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine
CID 103587184
5-bromo-N-(2,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 114870190
3-bromo-N-phenylpyridin-4-amine
CID 10634327
3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine
CID 102854834
3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine
CID 107645873
3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine
CID 104777924
3-bromo-N-(3,5-difluorophenyl)pyridin-4-amine
CID 104777967
3-bromo-N-(3,5-dichlorophenyl)pyridin-4-amine
CID 104777922
1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760668
2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82757124
5-bromo-2-N-(2,5-dimethylphenyl)pyridine-2,3-diamine
CID 61228858

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine (CID 104777947) is 3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine is Cc1ccc(C)c(Nc2ccncc2Br)c1.
What is the InChIKey of 3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine?
The InChIKey is AGILKBFNUDLRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-9-3-4-10(2)13(7-9)16-12-5-6-15-8-11(12)14/h3-8H,1-2H3,(H,15,16).
What are the key properties of 3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine?
3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine has a molecular weight of 277.17 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine is sourced from PubChem (CID 104777947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).