6-ethynyl-3-fluoropyridine-2-carbonitrile

C8H3FN2 — CID 55219584

IUPAC6-ethynyl-3-fluoropyridine-2-carbonitrile
SMILESC#Cc1ccc(F)c(C#N)n1
InChIInChI=1S/C8H3FN2/c1-2-6-3-4-7(9)8(5-10)11-6/h1,3-4H
InChIKeyZZIHBVDZSGOIHJ-UHFFFAOYSA-N
MW146.12 g/mol
LogP1.07
Rot. Bonds

About 6-ethynyl-3-fluoropyridine-2-carbonitrile

6-ethynyl-3-fluoropyridine-2-carbonitrile (PubChem CID 55219584) has the molecular formula C8H3FN2 and a molecular weight of 146.12 g/mol. Its IUPAC name is 6-ethynyl-3-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-ethynyl-3-fluoropyridine-2-carbonitrile
PubChem CID55219584
Molecular FormulaC8H3FN2
Molecular Weight146.12 g/mol
Exact Mass146.03
IUPAC Name6-ethynyl-3-fluoropyridine-2-carbonitrile
SMILESC#Cc1ccc(F)c(C#N)n1
InChIInChI=1S/C8H3FN2/c1-2-6-3-4-7(9)8(5-10)11-6/h1,3-4H
InChIKeyZZIHBVDZSGOIHJ-UHFFFAOYSA-N
XLogP1.07
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 51.07
H-Bond Donors ≤ 50
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 6-ethynyl-3-fluoropyridine-2-carbonitrile?
The IUPAC name of 6-ethynyl-3-fluoropyridine-2-carbonitrile (CID 55219584) is 6-ethynyl-3-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 6-ethynyl-3-fluoropyridine-2-carbonitrile?
The canonical SMILES for 6-ethynyl-3-fluoropyridine-2-carbonitrile is C#Cc1ccc(F)c(C#N)n1.
What is the InChIKey of 6-ethynyl-3-fluoropyridine-2-carbonitrile?
The InChIKey is ZZIHBVDZSGOIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FN2/c1-2-6-3-4-7(9)8(5-10)11-6/h1,3-4H.
What are the key properties of 6-ethynyl-3-fluoropyridine-2-carbonitrile?
6-ethynyl-3-fluoropyridine-2-carbonitrile has a molecular weight of 146.12 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-3-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 55219584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).