3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile

C11H10F2N2O2 — CID 156870077

IUPAC3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1OCC1OCCC1(F)F
InChIInChI=1S/C11H10F2N2O2/c12-11(13)2-4-16-10(11)7-17-9-6-15-3-1-8(9)5-14/h1,3,6,10H,2,4,7H2
InChIKeyARXMLWBXNAUWNZ-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.76
Rot. Bonds3

About 3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile

3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile (PubChem CID 156870077) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile
PubChem CID156870077
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1OCC1OCCC1(F)F
InChIInChI=1S/C11H10F2N2O2/c12-11(13)2-4-16-10(11)7-17-9-6-15-3-1-8(9)5-14/h1,3,6,10H,2,4,7H2
InChIKeyARXMLWBXNAUWNZ-UHFFFAOYSA-N
XLogP1.76
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile (CID 156870077) is 3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile is N#Cc1ccncc1OCC1OCCC1(F)F.
What is the InChIKey of 3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile?
The InChIKey is ARXMLWBXNAUWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c12-11(13)2-4-16-10(11)7-17-9-6-15-3-1-8(9)5-14/h1,3,6,10H,2,4,7H2.
What are the key properties of 3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile?
3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile has a molecular weight of 240.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 156870077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).