3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile

C14H11ClN2O2 — CID 63985087

IUPAC3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile
SMILESCOc1cccc(COc2ccc(C#N)cc2Cl)n1
InChIInChI=1S/C14H11ClN2O2/c1-18-14-4-2-3-11(17-14)9-19-13-6-5-10(8-16)7-12(13)15/h2-7H,9H2,1H3
InChIKeyZWVXILOJZAQLSY-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.19
Rot. Bonds4

About 3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile

3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile (PubChem CID 63985087) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile
PubChem CID63985087
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile
SMILESCOc1cccc(COc2ccc(C#N)cc2Cl)n1
InChIInChI=1S/C14H11ClN2O2/c1-18-14-4-2-3-11(17-14)9-19-13-6-5-10(8-16)7-12(13)15/h2-7H,9H2,1H3
InChIKeyZWVXILOJZAQLSY-UHFFFAOYSA-N
XLogP3.19
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903314
3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
CID 79239685
3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 61389153
3-chloro-4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile
CID 24668715
1-[5-chloro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992738
4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
3-amino-4-[(6-methoxy-2-pyridinyl)oxy]benzonitrile
CID 55213766
2-[(6-methoxy-2-pyridinyl)methoxy]-4-methylaniline
CID 63991349
2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine
CID 64854335
5-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63990956

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile?
The IUPAC name of 3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile (CID 63985087) is 3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile.
What is the SMILES notation for 3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile?
The canonical SMILES for 3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile is COc1cccc(COc2ccc(C#N)cc2Cl)n1.
What is the InChIKey of 3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile?
The InChIKey is ZWVXILOJZAQLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-18-14-4-2-3-11(17-14)9-19-13-6-5-10(8-16)7-12(13)15/h2-7H,9H2,1H3.
What are the key properties of 3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile?
3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile has a molecular weight of 274.71 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile is sourced from PubChem (CID 63985087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).