5-bromo-2-chloro-N-ethylpyridin-3-amine

C7H8BrClN2 — CID 59619948

IUPAC5-bromo-2-chloro-N-ethylpyridin-3-amine
SMILESCCNc1cc(Br)cnc1Cl
InChIInChI=1S/C7H8BrClN2/c1-2-10-6-3-5(8)4-11-7(6)9/h3-4,10H,2H2,1H3
InChIKeyRXWTXROXFHXFOA-UHFFFAOYSA-N
MW235.51 g/mol
LogP2.93
Rot. Bonds2

About 5-bromo-2-chloro-N-ethylpyridin-3-amine

5-bromo-2-chloro-N-ethylpyridin-3-amine (PubChem CID 59619948) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-ethylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-ethylpyridin-3-amine
PubChem CID59619948
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name5-bromo-2-chloro-N-ethylpyridin-3-amine
SMILESCCNc1cc(Br)cnc1Cl
InChIInChI=1S/C7H8BrClN2/c1-2-10-6-3-5(8)4-11-7(6)9/h3-4,10H,2H2,1H3
InChIKeyRXWTXROXFHXFOA-UHFFFAOYSA-N
XLogP2.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-ethylpyridin-3-amine?
The IUPAC name of 5-bromo-2-chloro-N-ethylpyridin-3-amine (CID 59619948) is 5-bromo-2-chloro-N-ethylpyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-ethylpyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloro-N-ethylpyridin-3-amine is CCNc1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-ethylpyridin-3-amine?
The InChIKey is RXWTXROXFHXFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2/c1-2-10-6-3-5(8)4-11-7(6)9/h3-4,10H,2H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-ethylpyridin-3-amine?
5-bromo-2-chloro-N-ethylpyridin-3-amine has a molecular weight of 235.51 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-ethylpyridin-3-amine is sourced from PubChem (CID 59619948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).