4-(propoxymethyl)pyridine-2-carbonitrile

C10H12N2O — CID 63884045

IUPAC4-(propoxymethyl)pyridine-2-carbonitrile
SMILESCCCOCc1ccnc(C#N)c1
InChIInChI=1S/C10H12N2O/c1-2-5-13-8-9-3-4-12-10(6-9)7-11/h3-4,6H,2,5,8H2,1H3
InChIKeyJCJRESRQHGUVAP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.88
Rot. Bonds4

About 4-(propoxymethyl)pyridine-2-carbonitrile

4-(propoxymethyl)pyridine-2-carbonitrile (PubChem CID 63884045) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-(propoxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(propoxymethyl)pyridine-2-carbonitrile
PubChem CID63884045
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-(propoxymethyl)pyridine-2-carbonitrile
SMILESCCCOCc1ccnc(C#N)c1
InChIInChI=1S/C10H12N2O/c1-2-5-13-8-9-3-4-12-10(6-9)7-11/h3-4,6H,2,5,8H2,1H3
InChIKeyJCJRESRQHGUVAP-UHFFFAOYSA-N
XLogP1.88
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.88
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-(pentoxymethyl)pyridine-2-carbonitrile
CID 63884240
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
N-methyl-4-(propoxymethyl)pyridin-2-amine
CID 62466206
[4-(propoxymethyl)-2-pyridinyl]methanamine
CID 63887669
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
2-chloro-4-(2-propoxyethoxymethyl)pyridine
CID 63684727
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-(2-propoxyethoxymethyl)pyridin-2-amine
CID 63684235
4-[(4-methylcyclohexyl)oxymethyl]pyridine-2-carbonitrile
CID 63886173

Frequently Asked Questions

What is the IUPAC name of 4-(propoxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(propoxymethyl)pyridine-2-carbonitrile (CID 63884045) is 4-(propoxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(propoxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(propoxymethyl)pyridine-2-carbonitrile is CCCOCc1ccnc(C#N)c1.
What is the InChIKey of 4-(propoxymethyl)pyridine-2-carbonitrile?
The InChIKey is JCJRESRQHGUVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-5-13-8-9-3-4-12-10(6-9)7-11/h3-4,6H,2,5,8H2,1H3.
What are the key properties of 4-(propoxymethyl)pyridine-2-carbonitrile?
4-(propoxymethyl)pyridine-2-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propoxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 63884045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).