5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile

C14H9N3O2 — CID 115487862

IUPAC5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
SMILESCOc1cc(C#N)ccc1Oc1ccc(C#N)nc1
InChIInChI=1S/C14H9N3O2/c1-18-14-6-10(7-15)2-5-13(14)19-12-4-3-11(8-16)17-9-12/h2-6,9H,1H3
InChIKeyNKZTWRZWWLZWQL-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.63
Rot. Bonds3

About 5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile

5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile (PubChem CID 115487862) has the molecular formula C14H9N3O2 and a molecular weight of 251.24 g/mol. Its IUPAC name is 5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
PubChem CID115487862
Molecular FormulaC14H9N3O2
Molecular Weight251.24 g/mol
Exact Mass251.07
IUPAC Name5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
SMILESCOc1cc(C#N)ccc1Oc1ccc(C#N)nc1
InChIInChI=1S/C14H9N3O2/c1-18-14-6-10(7-15)2-5-13(14)19-12-4-3-11(8-16)17-9-12/h2-6,9H,1H3
InChIKeyNKZTWRZWWLZWQL-UHFFFAOYSA-N
XLogP2.63
TPSA78.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 113321406
4-[4-(1-hydroxyethyl)phenoxy]-3-methoxybenzonitrile
CID 43506373
3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 4808212
4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 79915853
4-(4-cyano-2-methoxyphenoxy)pyridine-2-carboxylic acid
CID 43325992
4-(5-chloropentoxy)-3-methoxybenzonitrile
CID 43348380
4-(4-cyano-2-methoxyphenoxy)-2-methylbenzoic acid
CID 62134443
4-[[5-(chloromethyl)-2-pyridinyl]oxy]-3-methoxybenzonitrile
CID 80628683
4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
CID 16781104
6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16792097
2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide
CID 61313483
5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321409

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile (CID 115487862) is 5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile is COc1cc(C#N)ccc1Oc1ccc(C#N)nc1.
What is the InChIKey of 5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile?
The InChIKey is NKZTWRZWWLZWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c1-18-14-6-10(7-15)2-5-13(14)19-12-4-3-11(8-16)17-9-12/h2-6,9H,1H3.
What are the key properties of 5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile?
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile has a molecular weight of 251.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 115487862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).