3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile

C15H14N2O3 — CID 103566901

IUPAC3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile
SMILESCOc1cc(C#N)cc(OCc2cccnc2OC)c1
InChIInChI=1S/C15H14N2O3/c1-18-13-6-11(9-16)7-14(8-13)20-10-12-4-3-5-17-15(12)19-2/h3-8H,10H2,1-2H3
InChIKeyBORSDZCIPKLPRS-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.55
Rot. Bonds5

About 3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile

3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile (PubChem CID 103566901) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile
PubChem CID103566901
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile
SMILESCOc1cc(C#N)cc(OCc2cccnc2OC)c1
InChIInChI=1S/C15H14N2O3/c1-18-13-6-11(9-16)7-14(8-13)20-10-12-4-3-5-17-15(12)19-2/h3-8H,10H2,1-2H3
InChIKeyBORSDZCIPKLPRS-UHFFFAOYSA-N
XLogP2.55
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile
CID 103567180
3-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103566909
2-[(3-cyano-5-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 103577959
2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114769703
3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103566820
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
3-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103567000
3-[(2-amino-4-bromophenyl)methoxy]-5-methoxybenzonitrile
CID 103566498
4-[(2-chloro-3-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 65472278
3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile
CID 62464085
(NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495621

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile?
The IUPAC name of 3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile (CID 103566901) is 3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile.
What is the SMILES notation for 3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile?
The canonical SMILES for 3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile is COc1cc(C#N)cc(OCc2cccnc2OC)c1.
What is the InChIKey of 3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile?
The InChIKey is BORSDZCIPKLPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-18-13-6-11(9-16)7-14(8-13)20-10-12-4-3-5-17-15(12)19-2/h3-8H,10H2,1-2H3.
What are the key properties of 3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile?
3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile has a molecular weight of 270.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile is sourced from PubChem (CID 103566901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).