4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine

C7H6ClF3N2 — CID 119024454

IUPAC4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine
SMILESNc1nc(F)cc(CCl)c1C(F)F
InChIInChI=1S/C7H6ClF3N2/c8-2-3-1-4(9)13-7(12)5(3)6(10)11/h1,6H,2H2,(H2,12,13)
InChIKeyGKOZBIVMCJOGCM-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.48
Rot. Bonds2

About 4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine

4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine (PubChem CID 119024454) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine
PubChem CID119024454
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine
SMILESNc1nc(F)cc(CCl)c1C(F)F
InChIInChI=1S/C7H6ClF3N2/c8-2-3-1-4(9)13-7(12)5(3)6(10)11/h1,6H,2H2,(H2,12,13)
InChIKeyGKOZBIVMCJOGCM-UHFFFAOYSA-N
XLogP2.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine 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

2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119024121
4-chloro-3-(difluoromethyl)-6-fluoropyridin-2-amine
CID 119006404
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
CID 130071761
2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide
CID 118998716
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082138
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
CID 130108097
2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine
CID 118855086
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
CID 130096360
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine
CID 130069219
6-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridin-2-amine
CID 118997828

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine (CID 119024454) is 4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine is Nc1nc(F)cc(CCl)c1C(F)F.
What is the InChIKey of 4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine?
The InChIKey is GKOZBIVMCJOGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-2-3-1-4(9)13-7(12)5(3)6(10)11/h1,6H,2H2,(H2,12,13).
What are the key properties of 4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine?
4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine has a molecular weight of 210.59 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 119024454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).