4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine

C7H10F3N3 — CID 164913660

IUPAC4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine
SMILESNC1C=NC=CC1(N)CC(F)(F)F
InChIInChI=1S/C7H10F3N3/c8-7(9,10)4-6(12)1-2-13-3-5(6)11/h1-3,5H,4,11-12H2
InChIKeyQGYMTESOTDSWPR-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.56
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine

4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine (PubChem CID 164913660) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine
PubChem CID164913660
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine
SMILESNC1C=NC=CC1(N)CC(F)(F)F
InChIInChI=1S/C7H10F3N3/c8-7(9,10)4-6(12)1-2-13-3-5(6)11/h1-3,5H,4,11-12H2
InChIKeyQGYMTESOTDSWPR-UHFFFAOYSA-N
XLogP0.56
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine (CID 164913660) is 4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine is NC1C=NC=CC1(N)CC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine?
The InChIKey is QGYMTESOTDSWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c8-7(9,10)4-6(12)1-2-13-3-5(6)11/h1-3,5H,4,11-12H2.
What are the key properties of 4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine?
4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine has a molecular weight of 193.17 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine is sourced from PubChem (CID 164913660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).