3-ethynyl-5-(trifluoromethyl)pyridin-2-amine

C8H5F3N2 — CID 30772124

IUPAC3-ethynyl-5-(trifluoromethyl)pyridin-2-amine
SMILESC#Cc1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C8H5F3N2/c1-2-5-3-6(8(9,10)11)4-13-7(5)12/h1,3-4H,(H2,12,13)
InChIKeyAOXNOOYKQDKKFU-UHFFFAOYSA-N
MW186.14 g/mol
LogP1.66
Rot. Bonds

About 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine

3-ethynyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 30772124) has the molecular formula C8H5F3N2 and a molecular weight of 186.14 g/mol. Its IUPAC name is 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-ethynyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID30772124
Molecular FormulaC8H5F3N2
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name3-ethynyl-5-(trifluoromethyl)pyridin-2-amine
SMILESC#Cc1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C8H5F3N2/c1-2-5-3-6(8(9,10)11)4-13-7(5)12/h1,3-4H,(H2,12,13)
InChIKeyAOXNOOYKQDKKFU-UHFFFAOYSA-N
XLogP1.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine (CID 30772124) is 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine is C#Cc1cc(C(F)(F)F)cnc1N.
What is the InChIKey of 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AOXNOOYKQDKKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2/c1-2-5-3-6(8(9,10)11)4-13-7(5)12/h1,3-4H,(H2,12,13).
What are the key properties of 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine?
3-ethynyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 186.14 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 30772124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).