3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine

C11H15BrCl2N2 — CID 114838530

IUPAC3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine
SMILESCCC(CCCl)CNc1ncc(Cl)cc1Br
InChIInChI=1S/C11H15BrCl2N2/c1-2-8(3-4-13)6-15-11-10(12)5-9(14)7-16-11/h5,7-8H,2-4,6H2,1H3,(H,15,16)
InChIKeyLRLFPKZDCHZGNG-UHFFFAOYSA-N
MW326.07 g/mol
LogP4.56
Rot. Bonds6

About 3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine

3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine (PubChem CID 114838530) has the molecular formula C11H15BrCl2N2 and a molecular weight of 326.07 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine
PubChem CID114838530
Molecular FormulaC11H15BrCl2N2
Molecular Weight326.07 g/mol
Exact Mass323.98
IUPAC Name3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine
SMILESCCC(CCCl)CNc1ncc(Cl)cc1Br
InChIInChI=1S/C11H15BrCl2N2/c1-2-8(3-4-13)6-15-11-10(12)5-9(14)7-16-11/h5,7-8H,2-4,6H2,1H3,(H,15,16)
InChIKeyLRLFPKZDCHZGNG-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.07
LogP ≤ 54.56
H-Bond Donors ≤ 51
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 3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine (CID 114838530) is 3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine is CCC(CCCl)CNc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine?
The InChIKey is LRLFPKZDCHZGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrCl2N2/c1-2-8(3-4-13)6-15-11-10(12)5-9(14)7-16-11/h5,7-8H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine?
3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine has a molecular weight of 326.07 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(4-chloro-2-ethylbutyl)pyridin-2-amine is sourced from PubChem (CID 114838530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).