6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile

C13H15FN2O2 — CID 167794748

IUPAC6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile
SMILESN#Cc1nc(F)ccc1OCCC1CCCCO1
InChIInChI=1S/C13H15FN2O2/c14-13-5-4-12(11(9-15)16-13)18-8-6-10-3-1-2-7-17-10/h4-5,10H,1-3,6-8H2
InChIKeyHBDLITJVGZOJAX-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.43
Rot. Bonds4

About 6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile

6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile (PubChem CID 167794748) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile
PubChem CID167794748
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile
SMILESN#Cc1nc(F)ccc1OCCC1CCCCO1
InChIInChI=1S/C13H15FN2O2/c14-13-5-4-12(11(9-15)16-13)18-8-6-10-3-1-2-7-17-10/h4-5,10H,1-3,6-8H2
InChIKeyHBDLITJVGZOJAX-UHFFFAOYSA-N
XLogP2.43
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65161585
3-amino-4-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65158672
3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile
CID 167879327
2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane
CID 107691831
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
3-fluoro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 104831301
3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114675226
2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869424
2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107014133
2-[3-(2-bromo-4-fluorophenoxy)propyl]oxolane
CID 65161375
(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride
CID 161179637

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile (CID 167794748) is 6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile is N#Cc1nc(F)ccc1OCCC1CCCCO1.
What is the InChIKey of 6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile?
The InChIKey is HBDLITJVGZOJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-13-5-4-12(11(9-15)16-13)18-8-6-10-3-1-2-7-17-10/h4-5,10H,1-3,6-8H2.
What are the key properties of 6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile?
6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile has a molecular weight of 250.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-(oxan-2-yl)ethoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 167794748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).