3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile

C10H10N2O — CID 130050384

IUPAC3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(CO)cc1C1CC1
InChIInChI=1S/C10H10N2O/c11-4-10-9(8-1-2-8)3-7(6-13)5-12-10/h3,5,8,13H,1-2,6H2
InChIKeyLYYKESVMGCYWQJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.32
Rot. Bonds2

About 3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile

3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 130050384) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID130050384
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(CO)cc1C1CC1
InChIInChI=1S/C10H10N2O/c11-4-10-9(8-1-2-8)3-7(6-13)5-12-10/h3,5,8,13H,1-2,6H2
InChIKeyLYYKESVMGCYWQJ-UHFFFAOYSA-N
XLogP1.32
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile (CID 130050384) is 3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1ncc(CO)cc1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is LYYKESVMGCYWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-4-10-9(8-1-2-8)3-7(6-13)5-12-10/h3,5,8,13H,1-2,6H2.
What are the key properties of 3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile?
3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130050384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).