[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine

C7H6BrF3N2 — CID 118823517

IUPAC[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine
SMILESNCc1cc(F)nc(C(F)F)c1Br
InChIInChI=1S/C7H6BrF3N2/c8-5-3(2-12)1-4(9)13-6(5)7(10)11/h1,7H,2,12H2
InChIKeyFNHJOHIOIANDMG-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.38
Rot. Bonds2

About [3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine

[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine (PubChem CID 118823517) has the molecular formula C7H6BrF3N2 and a molecular weight of 255.04 g/mol. Its IUPAC name is [3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine
PubChem CID118823517
Molecular FormulaC7H6BrF3N2
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine
SMILESNCc1cc(F)nc(C(F)F)c1Br
InChIInChI=1S/C7H6BrF3N2/c8-5-3(2-12)1-4(9)13-6(5)7(10)11/h1,7H,2,12H2
InChIKeyFNHJOHIOIANDMG-UHFFFAOYSA-N
XLogP2.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130080031
[4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 118803186
3-bromo-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130108571
[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081572
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
CID 130080978
[4-bromo-6-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118808600
4-(aminomethyl)-2-bromo-6-(difluoromethyl)pyridin-3-amine
CID 130101865
[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
CID 130068220
[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
CID 118820028
[3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
CID 118820044
2-(difluoromethyl)-6-fluoro-3,4-diiodopyridine
CID 118842841

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine?
The IUPAC name of [3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine (CID 118823517) is [3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine.
What is the SMILES notation for [3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine?
The canonical SMILES for [3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine is NCc1cc(F)nc(C(F)F)c1Br.
What is the InChIKey of [3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine?
The InChIKey is FNHJOHIOIANDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2/c8-5-3(2-12)1-4(9)13-6(5)7(10)11/h1,7H,2,12H2.
What are the key properties of [3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine?
[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine has a molecular weight of 255.04 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine is sourced from PubChem (CID 118823517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).