3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine

C7H6F5N3 — CID 119006850

IUPAC3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESNc1ncc(C(F)(F)F)c(N)c1C(F)F
InChIInChI=1S/C7H6F5N3/c8-5(9)3-4(13)2(7(10,11)12)1-15-6(3)14/h1,5H,(H4,13,14,15)
InChIKeyPQTITCVFUHDLMH-UHFFFAOYSA-N
MW227.14 g/mol
LogP2.20
Rot. Bonds1

About 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine

3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 119006850) has the molecular formula C7H6F5N3 and a molecular weight of 227.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID119006850
Molecular FormulaC7H6F5N3
Molecular Weight227.14 g/mol
Exact Mass227.05
IUPAC Name3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESNc1ncc(C(F)(F)F)c(N)c1C(F)F
InChIInChI=1S/C7H6F5N3/c8-5(9)3-4(13)2(7(10,11)12)1-15-6(3)14/h1,5H,(H4,13,14,15)
InChIKeyPQTITCVFUHDLMH-UHFFFAOYSA-N
XLogP2.20
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine 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 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine (CID 119006850) is 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine is Nc1ncc(C(F)(F)F)c(N)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is PQTITCVFUHDLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F5N3/c8-5(9)3-4(13)2(7(10,11)12)1-15-6(3)14/h1,5H,(H4,13,14,15).
What are the key properties of 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine?
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 227.14 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 119006850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).