[3-(trifluoromethyl)-2-pyridinyl]hydrazine

C6H6F3N3 — CID 2777776

IUPAC[3-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1ncccc1C(F)(F)F
InChIInChI=1S/C6H6F3N3/c7-6(8,9)4-2-1-3-11-5(4)12-10/h1-3H,10H2,(H,11,12)
InChIKeyTWPMJXZSKBAITM-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.39
Rot. Bonds1

About [3-(trifluoromethyl)-2-pyridinyl]hydrazine

[3-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 2777776) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is [3-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID2777776
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name[3-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1ncccc1C(F)(F)F
InChIInChI=1S/C6H6F3N3/c7-6(8,9)4-2-1-3-11-5(4)12-10/h1-3H,10H2,(H,11,12)
InChIKeyTWPMJXZSKBAITM-UHFFFAOYSA-N
XLogP1.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [3-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 2777776) is [3-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [3-(trifluoromethyl)-2-pyridinyl]hydrazine is NNc1ncccc1C(F)(F)F.
What is the InChIKey of [3-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is TWPMJXZSKBAITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c7-6(8,9)4-2-1-3-11-5(4)12-10/h1-3H,10H2,(H,11,12).
What are the key properties of [3-(trifluoromethyl)-2-pyridinyl]hydrazine?
[3-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 177.13 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 2777776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).