[6-(trifluoromethyl)-2-pyridinyl]methanediamine

C7H8F3N3 — CID 135243406

IUPAC[6-(trifluoromethyl)-2-pyridinyl]methanediamine
SMILESNC(N)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)5-3-1-2-4(13-5)6(11)12/h1-3,6H,11-12H2
InChIKeyIMUJUVNMWVRCHP-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.02
Rot. Bonds1

About [6-(trifluoromethyl)-2-pyridinyl]methanediamine

[6-(trifluoromethyl)-2-pyridinyl]methanediamine (PubChem CID 135243406) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is [6-(trifluoromethyl)-2-pyridinyl]methanediamine.

Molecular Properties

Compound Name[6-(trifluoromethyl)-2-pyridinyl]methanediamine
PubChem CID135243406
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name[6-(trifluoromethyl)-2-pyridinyl]methanediamine
SMILESNC(N)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)5-3-1-2-4(13-5)6(11)12/h1-3,6H,11-12H2
InChIKeyIMUJUVNMWVRCHP-UHFFFAOYSA-N
XLogP1.02
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-2-pyridinyl]methanediamine?
The IUPAC name of [6-(trifluoromethyl)-2-pyridinyl]methanediamine (CID 135243406) is [6-(trifluoromethyl)-2-pyridinyl]methanediamine.
What is the SMILES notation for [6-(trifluoromethyl)-2-pyridinyl]methanediamine?
The canonical SMILES for [6-(trifluoromethyl)-2-pyridinyl]methanediamine is NC(N)c1cccc(C(F)(F)F)n1.
What is the InChIKey of [6-(trifluoromethyl)-2-pyridinyl]methanediamine?
The InChIKey is IMUJUVNMWVRCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)5-3-1-2-4(13-5)6(11)12/h1-3,6H,11-12H2.
What are the key properties of [6-(trifluoromethyl)-2-pyridinyl]methanediamine?
[6-(trifluoromethyl)-2-pyridinyl]methanediamine has a molecular weight of 191.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-2-pyridinyl]methanediamine is sourced from PubChem (CID 135243406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).