2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile

C18H18N2O — CID 117051671

IUPAC2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Oc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C18H18N2O/c19-13-15-5-1-2-7-18(15)21-16-10-8-14(9-11-16)17-6-3-4-12-20-17/h3-4,6,8-12,15,18H,1-2,5,7H2
InChIKeyNSMMAYXHKZDLNS-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile

2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile (PubChem CID 117051671) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile
PubChem CID117051671
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Oc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C18H18N2O/c19-13-15-5-1-2-7-18(15)21-16-10-8-14(9-11-16)17-6-3-4-12-20-17/h3-4,6,8-12,15,18H,1-2,5,7H2
InChIKeyNSMMAYXHKZDLNS-UHFFFAOYSA-N
XLogP4.21
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile (CID 117051671) is 2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile is N#CC1CCCCC1Oc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile?
The InChIKey is NSMMAYXHKZDLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c19-13-15-5-1-2-7-18(15)21-16-10-8-14(9-11-16)17-6-3-4-12-20-17/h3-4,6,8-12,15,18H,1-2,5,7H2.
What are the key properties of 2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile?
2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylphenoxy)cyclohexane-1-carbonitrile is sourced from PubChem (CID 117051671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).