2-fluoropyridine-4-carbonitrile

C6H3FN2 — CID 12002587

IUPAC2-fluoropyridine-4-carbonitrile
SMILESN#Cc1ccnc(F)c1
InChIInChI=1S/C6H3FN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
InChIKeyDYQMGPSBUBTNJZ-UHFFFAOYSA-N
MW122.10 g/mol
LogP1.09
Rot. Bonds

About 2-fluoropyridine-4-carbonitrile

2-fluoropyridine-4-carbonitrile (PubChem CID 12002587) has the molecular formula C6H3FN2 and a molecular weight of 122.10 g/mol. Its IUPAC name is 2-fluoropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-fluoropyridine-4-carbonitrile
PubChem CID12002587
Molecular FormulaC6H3FN2
Molecular Weight122.10 g/mol
Exact Mass122.03
IUPAC Name2-fluoropyridine-4-carbonitrile
SMILESN#Cc1ccnc(F)c1
InChIInChI=1S/C6H3FN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
InChIKeyDYQMGPSBUBTNJZ-UHFFFAOYSA-N
XLogP1.09
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.10
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropyridine-4-carbonitrile?
The IUPAC name of 2-fluoropyridine-4-carbonitrile (CID 12002587) is 2-fluoropyridine-4-carbonitrile.
What is the SMILES notation for 2-fluoropyridine-4-carbonitrile?
The canonical SMILES for 2-fluoropyridine-4-carbonitrile is N#Cc1ccnc(F)c1.
What is the InChIKey of 2-fluoropyridine-4-carbonitrile?
The InChIKey is DYQMGPSBUBTNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2/c7-6-3-5(4-8)1-2-9-6/h1-3H.
What are the key properties of 2-fluoropyridine-4-carbonitrile?
2-fluoropyridine-4-carbonitrile has a molecular weight of 122.10 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyridine-4-carbonitrile is sourced from PubChem (CID 12002587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).