2-(trifluoromethyl)-2H-pyridine-1,4-diamine

C6H8F3N3 — CID 141002270

IUPAC2-(trifluoromethyl)-2H-pyridine-1,4-diamine
SMILESNC1=CC(C(F)(F)F)N(N)C=C1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)5-3-4(10)1-2-12(5)11/h1-3,5H,10-11H2
InChIKeySJXXEJPHXWTCTE-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.46
Rot. Bonds

About 2-(trifluoromethyl)-2H-pyridine-1,4-diamine

2-(trifluoromethyl)-2H-pyridine-1,4-diamine (PubChem CID 141002270) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2H-pyridine-1,4-diamine.

Molecular Properties

Compound Name2-(trifluoromethyl)-2H-pyridine-1,4-diamine
PubChem CID141002270
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name2-(trifluoromethyl)-2H-pyridine-1,4-diamine
SMILESNC1=CC(C(F)(F)F)N(N)C=C1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)5-3-4(10)1-2-12(5)11/h1-3,5H,10-11H2
InChIKeySJXXEJPHXWTCTE-UHFFFAOYSA-N
XLogP0.46
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-Difluoroethyl)-1,7a-dihydroindazol-5-amine
CID 163989332
1-methyl-2-(trifluoromethyl)-2H-pyridin-4-amine
CID 166878769
(Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine
CID 143410207
(2Z)-2-(1-aminopropylidene)pyridin-1-amine
CID 142619215
(Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine;ethane
CID 143410206

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2H-pyridine-1,4-diamine?
The IUPAC name of 2-(trifluoromethyl)-2H-pyridine-1,4-diamine (CID 141002270) is 2-(trifluoromethyl)-2H-pyridine-1,4-diamine.
What is the SMILES notation for 2-(trifluoromethyl)-2H-pyridine-1,4-diamine?
The canonical SMILES for 2-(trifluoromethyl)-2H-pyridine-1,4-diamine is NC1=CC(C(F)(F)F)N(N)C=C1.
What is the InChIKey of 2-(trifluoromethyl)-2H-pyridine-1,4-diamine?
The InChIKey is SJXXEJPHXWTCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c7-6(8,9)5-3-4(10)1-2-12(5)11/h1-3,5H,10-11H2.
What are the key properties of 2-(trifluoromethyl)-2H-pyridine-1,4-diamine?
2-(trifluoromethyl)-2H-pyridine-1,4-diamine has a molecular weight of 179.15 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2H-pyridine-1,4-diamine is sourced from PubChem (CID 141002270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).