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

C9H9F3N2O — CID 169453823

IUPAC3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
SMILESNc1ncc(C=CCO)cc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-4-6(2-1-3-15)5-14-8(7)13/h1-2,4-5,15H,3H2,(H2,13,14)
InChIKeyFYESIDLLKXZKOL-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.69
Rot. Bonds2

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

3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol (PubChem CID 169453823) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
PubChem CID169453823
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
SMILESNc1ncc(C=CCO)cc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-4-6(2-1-3-15)5-14-8(7)13/h1-2,4-5,15H,3H2,(H2,13,14)
InChIKeyFYESIDLLKXZKOL-UHFFFAOYSA-N
XLogP1.69
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-enal
CID 169459565
5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 170485854
benzyl N-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169472204
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 169485449
5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 123704629
3-(6-chloro-5-fluoro-3-pyridinyl)prop-2-en-1-ol
CID 169453082
[2-amino-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118704003
3-(5,6-diaminopyrazin-2-yl)prop-2-en-1-ol
CID 169452977
4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile
CID 170800313
3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol
CID 169453377
4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476193
5-(3-chloroprop-1-enyl)pyridine-2,3-diamine
CID 169477134

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol?
The IUPAC name of 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol (CID 169453823) is 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol?
The canonical SMILES for 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol is Nc1ncc(C=CCO)cc1C(F)(F)F.
What is the InChIKey of 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol?
The InChIKey is FYESIDLLKXZKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)7-4-6(2-1-3-15)5-14-8(7)13/h1-2,4-5,15H,3H2,(H2,13,14).
What are the key properties of 3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol?
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol has a molecular weight of 218.18 g/mol, XLogP of 1.69, 2 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-en-1-ol is sourced from PubChem (CID 169453823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).