5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine

C11H14BrClN2 — CID 114870025

IUPAC5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine
SMILESCc1cc(NC2(CCl)CCC2)ncc1Br
InChIInChI=1S/C11H14BrClN2/c1-8-5-10(14-6-9(8)12)15-11(7-13)3-2-4-11/h5-6H,2-4,7H2,1H3,(H,14,15)
InChIKeyITSUCDFEMXURAL-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.73
Rot. Bonds3

About 5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine

5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine (PubChem CID 114870025) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine
PubChem CID114870025
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine
SMILESCc1cc(NC2(CCl)CCC2)ncc1Br
InChIInChI=1S/C11H14BrClN2/c1-8-5-10(14-6-9(8)12)15-11(7-13)3-2-4-11/h5-6H,2-4,7H2,1H3,(H,14,15)
InChIKeyITSUCDFEMXURAL-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.73
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 5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine (CID 114870025) is 5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine is Cc1cc(NC2(CCl)CCC2)ncc1Br.
What is the InChIKey of 5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine?
The InChIKey is ITSUCDFEMXURAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-8-5-10(14-6-9(8)12)15-11(7-13)3-2-4-11/h5-6H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine?
5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine has a molecular weight of 289.60 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(chloromethyl)cyclobutyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 114870025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).