6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine

C12H7F6N3 — CID 106747202

IUPAC6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H7F6N3/c13-5-1-2-7(11(15)10(5)14)21-8-3-9(12(16,17)18)20-4-6(8)19/h1-4H,19H2,(H,20,21)
InChIKeyGSPVNPIVFSFCKP-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.84
Rot. Bonds2

About 6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine

6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine (PubChem CID 106747202) has the molecular formula C12H7F6N3 and a molecular weight of 307.20 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine
PubChem CID106747202
Molecular FormulaC12H7F6N3
Molecular Weight307.20 g/mol
Exact Mass307.05
IUPAC Name6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H7F6N3/c13-5-1-2-7(11(15)10(5)14)21-8-3-9(12(16,17)18)20-4-6(8)19/h1-4H,19H2,(H,20,21)
InChIKeyGSPVNPIVFSFCKP-UHFFFAOYSA-N
XLogP3.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747938
4-N-(3-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747254
4-chloro-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 113315585
4-N-(5-bromo-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747494
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-chlorobenzonitrile
CID 106747922
4-fluoro-5-iodo-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 66100059
4-N-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747183
4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747467
4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 104866691
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747365
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747394

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine?
The IUPAC name of 6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine (CID 106747202) is 6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine.
What is the SMILES notation for 6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine?
The canonical SMILES for 6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine is Nc1cnc(C(F)(F)F)cc1Nc1ccc(F)c(F)c1F.
What is the InChIKey of 6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine?
The InChIKey is GSPVNPIVFSFCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6N3/c13-5-1-2-7(11(15)10(5)14)21-8-3-9(12(16,17)18)20-4-6(8)19/h1-4H,19H2,(H,20,21).
What are the key properties of 6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine?
6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine has a molecular weight of 307.20 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).