2-ethynyl-5-fluoropyridin-3-ol

C7H4FNO — CID 74892553

IUPAC2-ethynyl-5-fluoropyridin-3-ol
SMILESC#Cc1ncc(F)cc1O
InChIInChI=1S/C7H4FNO/c1-2-6-7(10)3-5(8)4-9-6/h1,3-4,10H
InChIKeyRDTRXHGMKYLZDG-UHFFFAOYSA-N
MW137.11 g/mol
LogP0.91
Rot. Bonds

About 2-ethynyl-5-fluoropyridin-3-ol

2-ethynyl-5-fluoropyridin-3-ol (PubChem CID 74892553) has the molecular formula C7H4FNO and a molecular weight of 137.11 g/mol. Its IUPAC name is 2-ethynyl-5-fluoropyridin-3-ol.

Molecular Properties

Compound Name2-ethynyl-5-fluoropyridin-3-ol
PubChem CID74892553
Molecular FormulaC7H4FNO
Molecular Weight137.11 g/mol
Exact Mass137.03
IUPAC Name2-ethynyl-5-fluoropyridin-3-ol
SMILESC#Cc1ncc(F)cc1O
InChIInChI=1S/C7H4FNO/c1-2-6-7(10)3-5(8)4-9-6/h1,3-4,10H
InChIKeyRDTRXHGMKYLZDG-UHFFFAOYSA-N
XLogP0.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 50.91
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 2-ethynyl-5-fluoropyridin-3-ol?
The IUPAC name of 2-ethynyl-5-fluoropyridin-3-ol (CID 74892553) is 2-ethynyl-5-fluoropyridin-3-ol.
What is the SMILES notation for 2-ethynyl-5-fluoropyridin-3-ol?
The canonical SMILES for 2-ethynyl-5-fluoropyridin-3-ol is C#Cc1ncc(F)cc1O.
What is the InChIKey of 2-ethynyl-5-fluoropyridin-3-ol?
The InChIKey is RDTRXHGMKYLZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO/c1-2-6-7(10)3-5(8)4-9-6/h1,3-4,10H.
What are the key properties of 2-ethynyl-5-fluoropyridin-3-ol?
2-ethynyl-5-fluoropyridin-3-ol has a molecular weight of 137.11 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-5-fluoropyridin-3-ol is sourced from PubChem (CID 74892553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).