4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile

C14H12N2O2 — CID 117053030

IUPAC4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
SMILESCOc1ccc(C#N)cc1OCc1ccccn1
InChIInChI=1S/C14H12N2O2/c1-17-13-6-5-11(9-15)8-14(13)18-10-12-4-2-3-7-16-12/h2-8H,10H2,1H3
InChIKeyHUDNIKKWKLVBNI-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.54
Rot. Bonds4

About 4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile

4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile (PubChem CID 117053030) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
PubChem CID117053030
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
SMILESCOc1ccc(C#N)cc1OCc1ccccn1
InChIInChI=1S/C14H12N2O2/c1-17-13-6-5-11(9-15)8-14(13)18-10-12-4-2-3-7-16-12/h2-8H,10H2,1H3
InChIKeyHUDNIKKWKLVBNI-UHFFFAOYSA-N
XLogP2.54
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
CID 79239685
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile
CID 117053031
2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 55653541
4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
CID 79244990
3-[2-(2-ethoxyphenoxy)ethoxy]-4-methoxybenzonitrile
CID 20993127
3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile
CID 60656824
5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile
CID 80601974
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+)
CID 169211481

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile?
The IUPAC name of 4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile (CID 117053030) is 4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile?
The canonical SMILES for 4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile is COc1ccc(C#N)cc1OCc1ccccn1.
What is the InChIKey of 4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile?
The InChIKey is HUDNIKKWKLVBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-13-6-5-11(9-15)8-14(13)18-10-12-4-2-3-7-16-12/h2-8H,10H2,1H3.
What are the key properties of 4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile?
4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 117053030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).