4-(pentoxymethyl)pyridine-2-carbonitrile

C12H16N2O — CID 63884240

IUPAC4-(pentoxymethyl)pyridine-2-carbonitrile
SMILESCCCCCOCc1ccnc(C#N)c1
InChIInChI=1S/C12H16N2O/c1-2-3-4-7-15-10-11-5-6-14-12(8-11)9-13/h5-6,8H,2-4,7,10H2,1H3
InChIKeyXMWPPBIGZFCLKM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.66
Rot. Bonds6

About 4-(pentoxymethyl)pyridine-2-carbonitrile

4-(pentoxymethyl)pyridine-2-carbonitrile (PubChem CID 63884240) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(pentoxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(pentoxymethyl)pyridine-2-carbonitrile
PubChem CID63884240
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(pentoxymethyl)pyridine-2-carbonitrile
SMILESCCCCCOCc1ccnc(C#N)c1
InChIInChI=1S/C12H16N2O/c1-2-3-4-7-15-10-11-5-6-14-12(8-11)9-13/h5-6,8H,2-4,7,10H2,1H3
InChIKeyXMWPPBIGZFCLKM-UHFFFAOYSA-N
XLogP2.66
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(propoxymethyl)pyridine-2-carbonitrile
CID 63884045
4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63880788
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine-2-carbonitrile
CID 104561614
4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
CID 112587627
4-[2-(propan-2-ylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63881182
4-(heptoxymethyl)pyridin-2-amine
CID 62465689
[4-(octoxymethyl)-2-pyridinyl]hydrazine
CID 62465557
4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile
CID 63886173
4-(pentoxymethyl)benzonitrile
CID 43275136
4-(dodecoxymethyl)pyridine
CID 175554630
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551

Frequently Asked Questions

What is the IUPAC name of 4-(pentoxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(pentoxymethyl)pyridine-2-carbonitrile (CID 63884240) is 4-(pentoxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(pentoxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(pentoxymethyl)pyridine-2-carbonitrile is CCCCCOCc1ccnc(C#N)c1.
What is the InChIKey of 4-(pentoxymethyl)pyridine-2-carbonitrile?
The InChIKey is XMWPPBIGZFCLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-3-4-7-15-10-11-5-6-14-12(8-11)9-13/h5-6,8H,2-4,7,10H2,1H3.
What are the key properties of 4-(pentoxymethyl)pyridine-2-carbonitrile?
4-(pentoxymethyl)pyridine-2-carbonitrile has a molecular weight of 204.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentoxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 63884240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).