3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol

C9H7F3N2O — CID 169485449

IUPAC3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
SMILESNc1ncc(C#CCO)cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)7-4-6(2-1-3-15)5-14-8(7)13/h4-5,15H,3H2,(H2,13,14)
InChIKeyOWWKXJURFZHPGA-UHFFFAOYSA-N
MW216.16 g/mol
LogP1.03
Rot. Bonds

About 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol

3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol (PubChem CID 169485449) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
PubChem CID169485449
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
SMILESNc1ncc(C#CCO)cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)7-4-6(2-1-3-15)5-14-8(7)13/h4-5,15H,3H2,(H2,13,14)
InChIKeyOWWKXJURFZHPGA-UHFFFAOYSA-N
XLogP1.03
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(methylamino)but-1-ynyl]-3-(trifluoromethyl)pyridin-2-amine
CID 170464899
3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 169485289
3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]prop-2-yn-1-ol
CID 169485542
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
CID 169453823
[2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol
CID 169486518
5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 123704629
3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol
CID 169484738
3-[4-chloro-2-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 169485374
3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol
CID 169484741
3-pyrimidin-5-ylprop-2-yn-1-ol
CID 5303257
methyl 4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]but-3-ynoate
CID 170470375
3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 102708599

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol (CID 169485449) is 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol is Nc1ncc(C#CCO)cc1C(F)(F)F.
What is the InChIKey of 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol?
The InChIKey is OWWKXJURFZHPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-9(11,12)7-4-6(2-1-3-15)5-14-8(7)13/h4-5,15H,3H2,(H2,13,14).
What are the key properties of 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol?
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol has a molecular weight of 216.16 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 169485449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).