4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile

C14H18N2O — CID 63886173

IUPAC4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile
SMILESCC1CCC(OCc2ccnc(C#N)c2)CC1
InChIInChI=1S/C14H18N2O/c1-11-2-4-14(5-3-11)17-10-12-6-7-16-13(8-12)9-15/h6-8,11,14H,2-5,10H2,1H3
InChIKeyHLZIMFBZHLBXMT-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.05
Rot. Bonds3

About 4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile

4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile (PubChem CID 63886173) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile
PubChem CID63886173
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile
SMILESCC1CCC(OCc2ccnc(C#N)c2)CC1
InChIInChI=1S/C14H18N2O/c1-11-2-4-14(5-3-11)17-10-12-6-7-16-13(8-12)9-15/h6-8,11,14H,2-5,10H2,1H3
InChIKeyHLZIMFBZHLBXMT-UHFFFAOYSA-N
XLogP3.05
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-3-yloxymethyl)pyridine-2-carbonitrile
CID 63881381
4-(propoxymethyl)pyridine-2-carbonitrile
CID 63884045
4-(pentoxymethyl)pyridine-2-carbonitrile
CID 63884240
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63883631
4-[(3,5-dimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63885183
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile
CID 104561614
4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63880788
4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile
CID 102633875
3-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 142207375
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile (CID 63886173) is 4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile is CC1CCC(OCc2ccnc(C#N)c2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile?
The InChIKey is HLZIMFBZHLBXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-2-4-14(5-3-11)17-10-12-6-7-16-13(8-12)9-15/h6-8,11,14H,2-5,10H2,1H3.
What are the key properties of 4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile?
4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63886173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).