5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol

C8H6F3NO — CID 130564945

IUPAC5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol
SMILESC=C(c1cncc(O)c1)C(F)(F)F
InChIInChI=1S/C8H6F3NO/c1-5(8(9,10)11)6-2-7(13)4-12-3-6/h2-4,13H,1H2
InChIKeyOSTBVCSKWNPJQR-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.36
Rot. Bonds1

About 5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol

5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol (PubChem CID 130564945) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol
PubChem CID130564945
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol
SMILESC=C(c1cncc(O)c1)C(F)(F)F
InChIInChI=1S/C8H6F3NO/c1-5(8(9,10)11)6-2-7(13)4-12-3-6/h2-4,13H,1H2
InChIKeyOSTBVCSKWNPJQR-UHFFFAOYSA-N
XLogP2.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol?
The IUPAC name of 5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol (CID 130564945) is 5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol.
What is the SMILES notation for 5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol?
The canonical SMILES for 5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol is C=C(c1cncc(O)c1)C(F)(F)F.
What is the InChIKey of 5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol?
The InChIKey is OSTBVCSKWNPJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-5(8(9,10)11)6-2-7(13)4-12-3-6/h2-4,13H,1H2.
What are the key properties of 5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol?
5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol has a molecular weight of 189.14 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-3-ol is sourced from PubChem (CID 130564945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).