3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile

C16H16N2O2 — CID 63365521

IUPAC3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESCC[C@@H](O)c1ccc(OCc2cccnc2C#N)cc1
InChIInChI=1S/C16H16N2O2/c1-2-16(19)12-5-7-14(8-6-12)20-11-13-4-3-9-18-15(13)10-17/h3-9,16,19H,2,11H2,1H3/t16-/m1/s1
InChIKeyJANLGMCPKAWQPH-MRXNPFEDSA-N
MW268.32 g/mol
LogP2.98
Rot. Bonds5

About 3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile

3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63365521) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63365521
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESCC[C@@H](O)c1ccc(OCc2cccnc2C#N)cc1
InChIInChI=1S/C16H16N2O2/c1-2-16(19)12-5-7-14(8-6-12)20-11-13-4-3-9-18-15(13)10-17/h3-9,16,19H,2,11H2,1H3/t16-/m1/s1
InChIKeyJANLGMCPKAWQPH-MRXNPFEDSA-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-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63367788
3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63364338
3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
CID 62895615
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893274
3-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920781
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306798
3-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894107
3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 163255226

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile (CID 63365521) is 3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile is CC[C@@H](O)c1ccc(OCc2cccnc2C#N)cc1.
What is the InChIKey of 3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is JANLGMCPKAWQPH-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-16(19)12-5-7-14(8-6-12)20-11-13-4-3-9-18-15(13)10-17/h3-9,16,19H,2,11H2,1H3/t16-/m1/s1.
What are the key properties of 3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile?
3-[[4-[(1R)-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-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63365521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).