5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile

C13H16N2O — CID 115487907

IUPAC5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile
SMILESCC1CCCC(Oc2ccc(C#N)nc2)C1
InChIInChI=1S/C13H16N2O/c1-10-3-2-4-12(7-10)16-13-6-5-11(8-14)15-9-13/h5-6,9-10,12H,2-4,7H2,1H3
InChIKeyPWVNKOUUBVBQDO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.91
Rot. Bonds2

About 5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile

5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile (PubChem CID 115487907) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile
PubChem CID115487907
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile
SMILESCC1CCCC(Oc2ccc(C#N)nc2)C1
InChIInChI=1S/C13H16N2O/c1-10-3-2-4-12(7-10)16-13-6-5-11(8-14)15-9-13/h5-6,9-10,12H,2-4,7H2,1H3
InChIKeyPWVNKOUUBVBQDO-UHFFFAOYSA-N
XLogP2.91
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(R)-4-(5-(Pyrrolidin-3-ylmethoxy)-2-(p-tolyl)pyridin-3-yl)benzonitrile
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US10155760, Example 122
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US10155760, Example 48
CID 118429888
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CID 3126290
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CID 882273
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CID 200510
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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile?
The IUPAC name of 5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile (CID 115487907) is 5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile?
The canonical SMILES for 5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile is CC1CCCC(Oc2ccc(C#N)nc2)C1.
What is the InChIKey of 5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile?
The InChIKey is PWVNKOUUBVBQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-3-2-4-12(7-10)16-13-6-5-11(8-14)15-9-13/h5-6,9-10,12H,2-4,7H2,1H3.
What are the key properties of 5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile?
5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile is sourced from PubChem (CID 115487907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).