6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile

C9H11N3O — CID 2746202

IUPAC6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile
SMILESCN(CCO)c1ccc(C#N)cn1
InChIInChI=1S/C9H11N3O/c1-12(4-5-13)9-3-2-8(6-10)7-11-9/h2-3,7,13H,4-5H2,1H3
InChIKeyXBCZBVMOYAHGLR-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.38
Rot. Bonds3

About 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile

6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile (PubChem CID 2746202) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile
PubChem CID2746202
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile
SMILESCN(CCO)c1ccc(C#N)cn1
InChIInChI=1S/C9H11N3O/c1-12(4-5-13)9-3-2-8(6-10)7-11-9/h2-3,7,13H,4-5H2,1H3
InChIKeyXBCZBVMOYAHGLR-UHFFFAOYSA-N
XLogP0.38
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile (CID 2746202) is 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile is CN(CCO)c1ccc(C#N)cn1.
What is the InChIKey of 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile?
The InChIKey is XBCZBVMOYAHGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-12(4-5-13)9-3-2-8(6-10)7-11-9/h2-3,7,13H,4-5H2,1H3.
What are the key properties of 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile?
6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 2746202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).