3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile

C16H16N2O2 — CID 63364338

IUPAC3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESCC[C@H](O)c1ccccc1OCc1cccnc1C#N
InChIInChI=1S/C16H16N2O2/c1-2-15(19)13-7-3-4-8-16(13)20-11-12-6-5-9-18-14(12)10-17/h3-9,15,19H,2,11H2,1H3/t15-/m0/s1
InChIKeyCVZMXGYFKIGCDW-HNNXBMFYSA-N
MW268.32 g/mol
LogP2.98
Rot. Bonds5

About 3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile

3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63364338) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63364338
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESCC[C@H](O)c1ccccc1OCc1cccnc1C#N
InChIInChI=1S/C16H16N2O2/c1-2-15(19)13-7-3-4-8-16(13)20-11-12-6-5-9-18-14(12)10-17/h3-9,15,19H,2,11H2,1H3/t15-/m0/s1
InChIKeyCVZMXGYFKIGCDW-HNNXBMFYSA-N
XLogP2.98
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 62895682
3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63365521
3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893783
(1R)-1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
CID 103954577
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578
3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894945
(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306815
3-[[2-[(1R)-1-hydroxypropyl]phenoxy]methyl]benzonitrile
CID 63365245
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62894437
2-[(2-butan-2-ylphenoxy)methyl]benzonitrile
CID 43080642

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile (CID 63364338) is 3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile is CC[C@H](O)c1ccccc1OCc1cccnc1C#N.
What is the InChIKey of 3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is CVZMXGYFKIGCDW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-15(19)13-7-3-4-8-16(13)20-11-12-6-5-9-18-14(12)10-17/h3-9,15,19H,2,11H2,1H3/t15-/m0/s1.
What are the key properties of 3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile?
3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63364338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).