6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile

C9H11N3O — CID 55275827

IUPAC6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile
SMILESC[C@@](N)(CO)c1cccc(C#N)n1
InChIInChI=1S/C9H11N3O/c1-9(11,6-13)8-4-2-3-7(5-10)12-8/h2-4,13H,6,11H2,1H3/t9-/m1/s1
InChIKeyJLQBPMWBNYJPHE-SECBINFHSA-N
MW177.21 g/mol
LogP0.12
Rot. Bonds2

About 6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile

6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile (PubChem CID 55275827) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile
PubChem CID55275827
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile
SMILESC[C@@](N)(CO)c1cccc(C#N)n1
InChIInChI=1S/C9H11N3O/c1-9(11,6-13)8-4-2-3-7(5-10)12-8/h2-4,13H,6,11H2,1H3/t9-/m1/s1
InChIKeyJLQBPMWBNYJPHE-SECBINFHSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile (CID 55275827) is 6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile is C[C@@](N)(CO)c1cccc(C#N)n1.
What is the InChIKey of 6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile?
The InChIKey is JLQBPMWBNYJPHE-SECBINFHSA-N. The full InChI is InChI=1S/C9H11N3O/c1-9(11,6-13)8-4-2-3-7(5-10)12-8/h2-4,13H,6,11H2,1H3/t9-/m1/s1.
What are the key properties of 6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile?
6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 55275827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).