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

C13H13BrN2 — CID 63463490

IUPAC3-bromo-N-(3-ethylphenyl)pyridin-2-amine
SMILESCCc1cccc(Nc2ncccc2Br)c1
InChIInChI=1S/C13H13BrN2/c1-2-10-5-3-6-11(9-10)16-13-12(14)7-4-8-15-13/h3-9H,2H2,1H3,(H,15,16)
InChIKeyPKUGPJDCFUUZPB-UHFFFAOYSA-N
MW277.17 g/mol
LogP4.15
Rot. Bonds3

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

3-bromo-N-(3-ethylphenyl)pyridin-2-amine (PubChem CID 63463490) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 3-bromo-N-(3-ethylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-ethylphenyl)pyridin-2-amine
PubChem CID63463490
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name3-bromo-N-(3-ethylphenyl)pyridin-2-amine
SMILESCCc1cccc(Nc2ncccc2Br)c1
InChIInChI=1S/C13H13BrN2/c1-2-10-5-3-6-11(9-10)16-13-12(14)7-4-8-15-13/h3-9H,2H2,1H3,(H,15,16)
InChIKeyPKUGPJDCFUUZPB-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-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071894
2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
CID 20714444
3-bromo-N-(3-ethynylphenyl)pyridin-2-amine
CID 61374877
5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
CID 86661943
3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 63462667
3-bromo-N-(4-bromo-3-fluorophenyl)pyridin-2-amine
CID 65437020
N-(3-ethylphenyl)-1-methylimidazol-2-amine
CID 106559848
3-bromo-N-(2-ethylphenyl)pyridin-2-amine
CID 55219347
5-bromo-N-(3-ethylphenyl)pyridin-3-amine
CID 104531520
N-(3-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144380
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethylphenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-ethylphenyl)pyridin-2-amine (CID 63463490) is 3-bromo-N-(3-ethylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-ethylphenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-ethylphenyl)pyridin-2-amine is CCc1cccc(Nc2ncccc2Br)c1.
What is the InChIKey of 3-bromo-N-(3-ethylphenyl)pyridin-2-amine?
The InChIKey is PKUGPJDCFUUZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-2-10-5-3-6-11(9-10)16-13-12(14)7-4-8-15-13/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(3-ethylphenyl)pyridin-2-amine?
3-bromo-N-(3-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-(3-ethylphenyl)pyridin-2-amine is sourced from PubChem (CID 63463490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).