4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile

C9H7FN2O2 — CID 22310819

IUPAC4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nccc(C2OCCO2)c1F
InChIInChI=1S/C9H7FN2O2/c10-8-6(9-13-3-4-14-9)1-2-12-7(8)5-11/h1-2,9H,3-4H2
InChIKeyQZRFXGHYFHBPMA-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.14
Rot. Bonds1

About 4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile

4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile (PubChem CID 22310819) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile
PubChem CID22310819
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nccc(C2OCCO2)c1F
InChIInChI=1S/C9H7FN2O2/c10-8-6(9-13-3-4-14-9)1-2-12-7(8)5-11/h1-2,9H,3-4H2
InChIKeyQZRFXGHYFHBPMA-UHFFFAOYSA-N
XLogP1.14
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile (CID 22310819) is 4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile is N#Cc1nccc(C2OCCO2)c1F.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile?
The InChIKey is QZRFXGHYFHBPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-8-6(9-13-3-4-14-9)1-2-12-7(8)5-11/h1-2,9H,3-4H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile?
4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile has a molecular weight of 194.16 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-3-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 22310819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).