5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine

C9H12BrClN2 — CID 63392030

IUPAC5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine
SMILESCCN(CCCl)c1ccc(Br)cn1
InChIInChI=1S/C9H12BrClN2/c1-2-13(6-5-11)9-4-3-8(10)7-12-9/h3-4,7H,2,5-6H2,1H3
InChIKeyRQDMDMPGEHOJBS-UHFFFAOYSA-N
MW263.57 g/mol
LogP2.91
Rot. Bonds4

About 5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine

5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine (PubChem CID 63392030) has the molecular formula C9H12BrClN2 and a molecular weight of 263.57 g/mol. Its IUPAC name is 5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine
PubChem CID63392030
Molecular FormulaC9H12BrClN2
Molecular Weight263.57 g/mol
Exact Mass261.99
IUPAC Name5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine
SMILESCCN(CCCl)c1ccc(Br)cn1
InChIInChI=1S/C9H12BrClN2/c1-2-13(6-5-11)9-4-3-8(10)7-12-9/h3-4,7H,2,5-6H2,1H3
InChIKeyRQDMDMPGEHOJBS-UHFFFAOYSA-N
XLogP2.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.57
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine (CID 63392030) is 5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine is CCN(CCCl)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine?
The InChIKey is RQDMDMPGEHOJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2/c1-2-13(6-5-11)9-4-3-8(10)7-12-9/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine?
5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine has a molecular weight of 263.57 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloroethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 63392030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).