6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile

C9H11N3O — CID 55294065

IUPAC6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile
SMILESC[C@H](O)[C@H](N)c1ccc(C#N)cn1
InChIInChI=1S/C9H11N3O/c1-6(13)9(11)8-3-2-7(4-10)5-12-8/h2-3,5-6,9,13H,11H2,1H3/t6-,9-/m0/s1
InChIKeyDHHJPWBPSSTQTB-RCOVLWMOSA-N
MW177.21 g/mol
LogP0.33
Rot. Bonds2

About 6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile

6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile (PubChem CID 55294065) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile
PubChem CID55294065
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile
SMILESC[C@H](O)[C@H](N)c1ccc(C#N)cn1
InChIInChI=1S/C9H11N3O/c1-6(13)9(11)8-3-2-7(4-10)5-12-8/h2-3,5-6,9,13H,11H2,1H3/t6-,9-/m0/s1
InChIKeyDHHJPWBPSSTQTB-RCOVLWMOSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile (CID 55294065) is 6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile is C[C@H](O)[C@H](N)c1ccc(C#N)cn1.
What is the InChIKey of 6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile?
The InChIKey is DHHJPWBPSSTQTB-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6(13)9(11)8-3-2-7(4-10)5-12-8/h2-3,5-6,9,13H,11H2,1H3/t6-,9-/m0/s1.
What are the key properties of 6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile?
6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile is sourced from PubChem (CID 55294065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).