6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine

C8H9BrF2N2 — CID 86727989

IUPAC6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine
SMILESCN(CC(F)F)c1cccc(Br)n1
InChIInChI=1S/C8H9BrF2N2/c1-13(5-7(10)11)8-4-2-3-6(9)12-8/h2-4,7H,5H2,1H3
InChIKeyRZTNQJRWKTVAAM-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.55
Rot. Bonds3

About 6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine

6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine (PubChem CID 86727989) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is 6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine
PubChem CID86727989
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine
SMILESCN(CC(F)F)c1cccc(Br)n1
InChIInChI=1S/C8H9BrF2N2/c1-13(5-7(10)11)8-4-2-3-6(9)12-8/h2-4,7H,5H2,1H3
InChIKeyRZTNQJRWKTVAAM-UHFFFAOYSA-N
XLogP2.55
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.55
H-Bond Donors ≤ 50
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 6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine?
The IUPAC name of 6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine (CID 86727989) is 6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine is CN(CC(F)F)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine?
The InChIKey is RZTNQJRWKTVAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c1-13(5-7(10)11)8-4-2-3-6(9)12-8/h2-4,7H,5H2,1H3.
What are the key properties of 6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine?
6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine has a molecular weight of 251.07 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 86727989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).