N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine

C11H14BrFN2 — CID 102871601

IUPACN-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine
SMILESFc1ccc(N(CCBr)C2CCC2)nc1
InChIInChI=1S/C11H14BrFN2/c12-6-7-15(10-2-1-3-10)11-5-4-9(13)8-14-11/h4-5,8,10H,1-3,6-7H2
InChIKeyZGOUJTIFEZTCOX-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.97
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine

N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine (PubChem CID 102871601) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine
PubChem CID102871601
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine
SMILESFc1ccc(N(CCBr)C2CCC2)nc1
InChIInChI=1S/C11H14BrFN2/c12-6-7-15(10-2-1-3-10)11-5-4-9(13)8-14-11/h4-5,8,10H,1-3,6-7H2
InChIKeyZGOUJTIFEZTCOX-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.97
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 N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine (CID 102871601) is N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine is Fc1ccc(N(CCBr)C2CCC2)nc1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine?
The InChIKey is ZGOUJTIFEZTCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-6-7-15(10-2-1-3-10)11-5-4-9(13)8-14-11/h4-5,8,10H,1-3,6-7H2.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine?
N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine has a molecular weight of 273.15 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine is sourced from PubChem (CID 102871601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).