3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile

C9H11N3O — CID 146309052

IUPAC3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile
SMILESCc1cc(CCO)nc(C#N)c1N
InChIInChI=1S/C9H11N3O/c1-6-4-7(2-3-13)12-8(5-10)9(6)11/h4,13H,2-3,11H2,1H3
InChIKeyRQNBHJBCNUBGRK-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.38
Rot. Bonds2

About 3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile

3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile (PubChem CID 146309052) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile
PubChem CID146309052
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile
SMILESCc1cc(CCO)nc(C#N)c1N
InChIInChI=1S/C9H11N3O/c1-6-4-7(2-3-13)12-8(5-10)9(6)11/h4,13H,2-3,11H2,1H3
InChIKeyRQNBHJBCNUBGRK-UHFFFAOYSA-N
XLogP0.38
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile (CID 146309052) is 3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile is Cc1cc(CCO)nc(C#N)c1N.
What is the InChIKey of 3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile?
The InChIKey is RQNBHJBCNUBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-4-7(2-3-13)12-8(5-10)9(6)11/h4,13H,2-3,11H2,1H3.
What are the key properties of 3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile?
3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-hydroxyethyl)-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 146309052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).