3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile

C16H15FN2O — CID 163255226

IUPAC3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCC(C)c1cc(OCc2cccnc2C#N)ccc1F
InChIInChI=1S/C16H15FN2O/c1-11(2)14-8-13(5-6-15(14)17)20-10-12-4-3-7-19-16(12)9-18/h3-8,11H,10H2,1-2H3
InChIKeyCFUNOIHFJBRVCU-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.79
Rot. Bonds4

About 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile

3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 163255226) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
PubChem CID163255226
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCC(C)c1cc(OCc2cccnc2C#N)ccc1F
InChIInChI=1S/C16H15FN2O/c1-11(2)14-8-13(5-6-15(14)17)20-10-12-4-3-7-19-16(12)9-18/h3-8,11H,10H2,1-2H3
InChIKeyCFUNOIHFJBRVCU-UHFFFAOYSA-N
XLogP3.79
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920781
[4-[(2-cyano-3-pyridinyl)methoxy]-2-fluorophenyl]boronic acid
CID 65203522
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
3-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridine-2-carbonitrile
CID 103289458
3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine
CID 163255075
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480
3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63365521
3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63367788
3-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 62893586
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893274
3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
CID 62895615

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile (CID 163255226) is 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile is CC(C)c1cc(OCc2cccnc2C#N)ccc1F.
What is the InChIKey of 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is CFUNOIHFJBRVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-11(2)14-8-13(5-6-15(14)17)20-10-12-4-3-7-19-16(12)9-18/h3-8,11H,10H2,1-2H3.
What are the key properties of 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile?
3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 163255226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).