3-fluoropyridine-2-carbonitrile

C6H3FN2 — CID 7060408

IUPAC3-fluoropyridine-2-carbonitrile
SMILESN#Cc1ncccc1F
InChIInChI=1S/C6H3FN2/c7-5-2-1-3-9-6(5)4-8/h1-3H
InChIKeyVZFPSCNTFBJZHB-UHFFFAOYSA-N
MW122.10 g/mol
LogP1.09
Rot. Bonds

About 3-fluoropyridine-2-carbonitrile

3-fluoropyridine-2-carbonitrile (PubChem CID 7060408) has the molecular formula C6H3FN2 and a molecular weight of 122.10 g/mol. Its IUPAC name is 3-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name3-fluoropyridine-2-carbonitrile
PubChem CID7060408
Molecular FormulaC6H3FN2
Molecular Weight122.10 g/mol
Exact Mass122.03
IUPAC Name3-fluoropyridine-2-carbonitrile
SMILESN#Cc1ncccc1F
InChIInChI=1S/C6H3FN2/c7-5-2-1-3-9-6(5)4-8/h1-3H
InChIKeyVZFPSCNTFBJZHB-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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropyridine-2-carbonitrile?
The IUPAC name of 3-fluoropyridine-2-carbonitrile (CID 7060408) is 3-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 3-fluoropyridine-2-carbonitrile?
The canonical SMILES for 3-fluoropyridine-2-carbonitrile is N#Cc1ncccc1F.
What is the InChIKey of 3-fluoropyridine-2-carbonitrile?
The InChIKey is VZFPSCNTFBJZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2/c7-5-2-1-3-9-6(5)4-8/h1-3H.
What are the key properties of 3-fluoropyridine-2-carbonitrile?
3-fluoropyridine-2-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 3-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 7060408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).