5-bromo-2-chloro-6-ethylpyridin-3-amine

C7H8BrClN2 — CID 105497051

IUPAC5-bromo-2-chloro-6-ethylpyridin-3-amine
SMILESCCc1nc(Cl)c(N)cc1Br
InChIInChI=1S/C7H8BrClN2/c1-2-6-4(8)3-5(10)7(9)11-6/h3H,2,10H2,1H3
InChIKeyYQHNQKQASIWCIJ-UHFFFAOYSA-N
MW235.51 g/mol
LogP2.64
Rot. Bonds1

About 5-bromo-2-chloro-6-ethylpyridin-3-amine

5-bromo-2-chloro-6-ethylpyridin-3-amine (PubChem CID 105497051) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is 5-bromo-2-chloro-6-ethylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-6-ethylpyridin-3-amine
PubChem CID105497051
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name5-bromo-2-chloro-6-ethylpyridin-3-amine
SMILESCCc1nc(Cl)c(N)cc1Br
InChIInChI=1S/C7H8BrClN2/c1-2-6-4(8)3-5(10)7(9)11-6/h3H,2,10H2,1H3
InChIKeyYQHNQKQASIWCIJ-UHFFFAOYSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 52.64
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-6-ethylpyridin-3-amine?
The IUPAC name of 5-bromo-2-chloro-6-ethylpyridin-3-amine (CID 105497051) is 5-bromo-2-chloro-6-ethylpyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloro-6-ethylpyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloro-6-ethylpyridin-3-amine is CCc1nc(Cl)c(N)cc1Br.
What is the InChIKey of 5-bromo-2-chloro-6-ethylpyridin-3-amine?
The InChIKey is YQHNQKQASIWCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2/c1-2-6-4(8)3-5(10)7(9)11-6/h3H,2,10H2,1H3.
What are the key properties of 5-bromo-2-chloro-6-ethylpyridin-3-amine?
5-bromo-2-chloro-6-ethylpyridin-3-amine has a molecular weight of 235.51 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-6-ethylpyridin-3-amine is sourced from PubChem (CID 105497051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).