[2-(trifluoromethyl)-4-pyridinyl]methanamine

C7H7F3N2 — CID 55265285

IUPAC[2-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C7H7F3N2/c8-7(9,10)6-3-5(4-11)1-2-12-6/h1-3H,4,11H2
InChIKeyLETQLOMLPJORPB-UHFFFAOYSA-N
MW176.14 g/mol
LogP1.56
Rot. Bonds1

About [2-(trifluoromethyl)-4-pyridinyl]methanamine

[2-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 55265285) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is [2-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID55265285
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name[2-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C7H7F3N2/c8-7(9,10)6-3-5(4-11)1-2-12-6/h1-3H,4,11H2
InChIKeyLETQLOMLPJORPB-UHFFFAOYSA-N
XLogP1.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(trifluoromethyl)-4-pyridinyl]methanamine (CID 55265285) is [2-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(trifluoromethyl)-4-pyridinyl]methanamine is NCc1ccnc(C(F)(F)F)c1.
What is the InChIKey of [2-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is LETQLOMLPJORPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2/c8-7(9,10)6-3-5(4-11)1-2-12-6/h1-3H,4,11H2.
What are the key properties of [2-(trifluoromethyl)-4-pyridinyl]methanamine?
[2-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 176.14 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 55265285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).