2-(trifluoromethyl)-1H-pyridine-2,3-diamine

C6H8F3N3 — CID 150977814

IUPAC2-(trifluoromethyl)-1H-pyridine-2,3-diamine
SMILESNC1=CC=CNC1(N)C(F)(F)F
InChIInChI=1S/C6H8F3N3/c7-6(8,9)5(11)4(10)2-1-3-12-5/h1-3,12H,10-11H2
InChIKeyLPLQBVNCGOSWBW-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.16
Rot. Bonds

About 2-(trifluoromethyl)-1H-pyridine-2,3-diamine

2-(trifluoromethyl)-1H-pyridine-2,3-diamine (PubChem CID 150977814) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-pyridine-2,3-diamine.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-pyridine-2,3-diamine
PubChem CID150977814
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name2-(trifluoromethyl)-1H-pyridine-2,3-diamine
SMILESNC1=CC=CNC1(N)C(F)(F)F
InChIInChI=1S/C6H8F3N3/c7-6(8,9)5(11)4(10)2-1-3-12-5/h1-3,12H,10-11H2
InChIKeyLPLQBVNCGOSWBW-UHFFFAOYSA-N
XLogP0.16
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1H-pyridine-2,3-diamine?
The IUPAC name of 2-(trifluoromethyl)-1H-pyridine-2,3-diamine (CID 150977814) is 2-(trifluoromethyl)-1H-pyridine-2,3-diamine.
What is the SMILES notation for 2-(trifluoromethyl)-1H-pyridine-2,3-diamine?
The canonical SMILES for 2-(trifluoromethyl)-1H-pyridine-2,3-diamine is NC1=CC=CNC1(N)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-1H-pyridine-2,3-diamine?
The InChIKey is LPLQBVNCGOSWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c7-6(8,9)5(11)4(10)2-1-3-12-5/h1-3,12H,10-11H2.
What are the key properties of 2-(trifluoromethyl)-1H-pyridine-2,3-diamine?
2-(trifluoromethyl)-1H-pyridine-2,3-diamine has a molecular weight of 179.15 g/mol, XLogP of 0.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1H-pyridine-2,3-diamine is sourced from PubChem (CID 150977814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).