3-bromo-N-(2-ethylphenyl)pyridin-2-amine

C13H13BrN2 — CID 55219347

IUPAC3-bromo-N-(2-ethylphenyl)pyridin-2-amine
SMILESCCc1ccccc1Nc1ncccc1Br
InChIInChI=1S/C13H13BrN2/c1-2-10-6-3-4-8-12(10)16-13-11(14)7-5-9-15-13/h3-9H,2H2,1H3,(H,15,16)
InChIKeyJOUFWSXJJRJKPE-UHFFFAOYSA-N
MW277.17 g/mol
LogP4.15
Rot. Bonds3

About 3-bromo-N-(2-ethylphenyl)pyridin-2-amine

3-bromo-N-(2-ethylphenyl)pyridin-2-amine (PubChem CID 55219347) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 3-bromo-N-(2-ethylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-ethylphenyl)pyridin-2-amine
PubChem CID55219347
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name3-bromo-N-(2-ethylphenyl)pyridin-2-amine
SMILESCCc1ccccc1Nc1ncccc1Br
InChIInChI=1S/C13H13BrN2/c1-2-10-6-3-4-8-12(10)16-13-11(14)7-5-9-15-13/h3-9H,2H2,1H3,(H,15,16)
InChIKeyJOUFWSXJJRJKPE-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-ethylphenyl)pyrazine-2,3-diamine
CID 102985203
3-bromo-N-(2-fluorophenyl)pyridin-2-amine
CID 61373543
4-N-(2-bromophenyl)-6-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482676
3-bromo-N-(2,3-dichlorophenyl)pyridin-2-amine
CID 63462335
3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine
CID 103481300
3-bromo-N-(3-ethylphenyl)pyridin-2-amine
CID 63463490
2-(3-bromo-2-pyridinyl)-3-ethylpyridine
CID 167433763
3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile
CID 82817206
5-bromo-N-(2-ethylphenyl)-4-methylpyridin-2-amine
CID 114870208
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-ethylphenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-ethylphenyl)pyridin-2-amine (CID 55219347) is 3-bromo-N-(2-ethylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-ethylphenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-ethylphenyl)pyridin-2-amine is CCc1ccccc1Nc1ncccc1Br.
What is the InChIKey of 3-bromo-N-(2-ethylphenyl)pyridin-2-amine?
The InChIKey is JOUFWSXJJRJKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-2-10-6-3-4-8-12(10)16-13-11(14)7-5-9-15-13/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(2-ethylphenyl)pyridin-2-amine?
3-bromo-N-(2-ethylphenyl)pyridin-2-amine has a molecular weight of 277.17 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-ethylphenyl)pyridin-2-amine is sourced from PubChem (CID 55219347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).