5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile

C9H9N5O2 — CID 170825675

IUPAC5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(O)C(O)CN=[N+]=[N-])cn1
InChIInChI=1S/C9H9N5O2/c10-3-7-2-1-6(4-12-7)9(16)8(15)5-13-14-11/h1-2,4,8-9,15-16H,5H2
InChIKeyCIWBVYSQHXJTSB-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.66
Rot. Bonds4

About 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile

5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile (PubChem CID 170825675) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile
PubChem CID170825675
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(O)C(O)CN=[N+]=[N-])cn1
InChIInChI=1S/C9H9N5O2/c10-3-7-2-1-6(4-12-7)9(16)8(15)5-13-14-11/h1-2,4,8-9,15-16H,5H2
InChIKeyCIWBVYSQHXJTSB-UHFFFAOYSA-N
XLogP0.66
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carbonitrile
CID 171859635
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 170826111
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
5-amino-1-[4-(3-azido-1,2-dihydroxypropyl)phenyl]pyrazole-4-carbonitrile
CID 170827036
5-(3-azido-1,2-dihydroxypropyl)-3-nitropyridine-2-carbonitrile
CID 170826744
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180
1-[4-(3-azido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carbonitrile
CID 170826798
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484
3-(3-azido-1,2-dihydroxypropyl)-5-chlorobenzonitrile
CID 170826051
4-(3-azido-1,2-dihydroxypropyl)-2-phenylmethoxybenzonitrile
CID 170827065
3-azido-1-[4-(2-hydroxyethyl)phenyl]propane-1,2-diol
CID 170825964
3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol
CID 170825528

Frequently Asked Questions

What is the IUPAC name of 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile (CID 170825675) is 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile is N#Cc1ccc(C(O)C(O)CN=[N+]=[N-])cn1.
What is the InChIKey of 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile?
The InChIKey is CIWBVYSQHXJTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c10-3-7-2-1-6(4-12-7)9(16)8(15)5-13-14-11/h1-2,4,8-9,15-16H,5H2.
What are the key properties of 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile?
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile has a molecular weight of 219.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carbonitrile is sourced from PubChem (CID 170825675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).