2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile

C20H16N2O2 — CID 86604951

IUPAC2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile
SMILESCOc1ccc(COc2ccccc2-c2ncccc2C#N)cc1
InChIInChI=1S/C20H16N2O2/c1-23-17-10-8-15(9-11-17)14-24-19-7-3-2-6-18(19)20-16(13-21)5-4-12-22-20/h2-12H,14H2,1H3
InChIKeySBGDORRDEUGPMQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.21
Rot. Bonds5

About 2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile

2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile (PubChem CID 86604951) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile
PubChem CID86604951
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile
SMILESCOc1ccc(COc2ccccc2-c2ncccc2C#N)cc1
InChIInChI=1S/C20H16N2O2/c1-23-17-10-8-15(9-11-17)14-24-19-7-3-2-6-18(19)20-16(13-21)5-4-12-22-20/h2-12H,14H2,1H3
InChIKeySBGDORRDEUGPMQ-UHFFFAOYSA-N
XLogP4.21
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 39826155
2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile
CID 70343483
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914
5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile
CID 71661271
2-[(4-methoxyphenyl)methoxy]-3-methylbenzonitrile
CID 107107472
2,4-diamino-6-[2-[(3-methoxyphenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397344
2-phenylmethoxybenzonitrile;propane
CID 142369146
2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile
CID 21257477
3-[3-bromo-4-[(4-methoxyphenyl)methoxy]phenyl]pyridin-2-amine
CID 68874259
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile
CID 169493439
5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile
CID 175299155

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile (CID 86604951) is 2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile is COc1ccc(COc2ccccc2-c2ncccc2C#N)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile?
The InChIKey is SBGDORRDEUGPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-23-17-10-8-15(9-11-17)14-24-19-7-3-2-6-18(19)20-16(13-21)5-4-12-22-20/h2-12H,14H2,1H3.
What are the key properties of 2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile?
2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 86604951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).