4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine

C8H9BrF2N2 — CID 170041657

IUPAC4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine
SMILESCNc1cnc(C(C)(F)F)cc1Br
InChIInChI=1S/C8H9BrF2N2/c1-8(10,11)7-3-5(9)6(12-2)4-13-7/h3-4,12H,1-2H3
InChIKeyXOYSAKLRVJICJN-UHFFFAOYSA-N
MW251.07 g/mol
LogP3.00
Rot. Bonds2

About 4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine

4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine (PubChem CID 170041657) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is 4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine
PubChem CID170041657
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine
SMILESCNc1cnc(C(C)(F)F)cc1Br
InChIInChI=1S/C8H9BrF2N2/c1-8(10,11)7-3-5(9)6(12-2)4-13-7/h3-4,12H,1-2H3
InChIKeyXOYSAKLRVJICJN-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine?
The IUPAC name of 4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine (CID 170041657) is 4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine.
What is the SMILES notation for 4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine?
The canonical SMILES for 4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine is CNc1cnc(C(C)(F)F)cc1Br.
What is the InChIKey of 4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine?
The InChIKey is XOYSAKLRVJICJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c1-8(10,11)7-3-5(9)6(12-2)4-13-7/h3-4,12H,1-2H3.
What are the key properties of 4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine?
4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine has a molecular weight of 251.07 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(1,1-difluoroethyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 170041657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).