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

C13H16N2O — CID 43184944

IUPAC2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile
SMILESCC1CCCCC1Oc1ncccc1C#N
InChIInChI=1S/C13H16N2O/c1-10-5-2-3-7-12(10)16-13-11(9-14)6-4-8-15-13/h4,6,8,10,12H,2-3,5,7H2,1H3
InChIKeyLCKPYUKRSSGIAK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.91
Rot. Bonds2

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

2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile (PubChem CID 43184944) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile
PubChem CID43184944
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile
SMILESCC1CCCCC1Oc1ncccc1C#N
InChIInChI=1S/C13H16N2O/c1-10-5-2-3-7-12(10)16-13-11(9-14)6-4-8-15-13/h4,6,8,10,12H,2-3,5,7H2,1H3
InChIKeyLCKPYUKRSSGIAK-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

2-Phenoxynicotinonitrile
CID 84242
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
2-(Benzyloxy)pyridine
CID 295859
2-[(3-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263327
2-[(2,4-Difluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263333
3-methyl-2-[(1S)-1-phenylethoxy]-4-(piperidin-4-yl)pyridine
CID 25263334
3-Methyl-4-(piperidin-4-yl)-2-[2,2,2-trifluoro-1-(3-fluorophenyl)ethoxy]pyridine
CID 25263340
3-(Piperidin-4-yl)-2-(o-tolyloxy)pyridine
CID 46230706

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile?
The IUPAC name of 2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile (CID 43184944) is 2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile is CC1CCCCC1Oc1ncccc1C#N.
What is the InChIKey of 2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile?
The InChIKey is LCKPYUKRSSGIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-5-2-3-7-12(10)16-13-11(9-14)6-4-8-15-13/h4,6,8,10,12H,2-3,5,7H2,1H3.
What are the key properties of 2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile?
2-(2-methylcyclohexyl)oxypyridine-3-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 2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile is sourced from PubChem (CID 43184944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).