3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol

C9H8FNO — CID 68606977

IUPAC3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol
SMILESOCC#Cc1cccc(CF)n1
InChIInChI=1S/C9H8FNO/c10-7-9-4-1-3-8(11-9)5-2-6-12/h1,3-4,12H,6-7H2
InChIKeyDJEINARESZVZKV-UHFFFAOYSA-N
MW165.17 g/mol
LogP0.89
Rot. Bonds1

About 3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol

3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol (PubChem CID 68606977) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol
PubChem CID68606977
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol
SMILESOCC#Cc1cccc(CF)n1
InChIInChI=1S/C9H8FNO/c10-7-9-4-1-3-8(11-9)5-2-6-12/h1,3-4,12H,6-7H2
InChIKeyDJEINARESZVZKV-UHFFFAOYSA-N
XLogP0.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 50.89
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-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol (CID 68606977) is 3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol is OCC#Cc1cccc(CF)n1.
What is the InChIKey of 3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol?
The InChIKey is DJEINARESZVZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-7-9-4-1-3-8(11-9)5-2-6-12/h1,3-4,12H,6-7H2.
What are the key properties of 3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol?
3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol has a molecular weight of 165.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(fluoromethyl)-2-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 68606977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).