2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol

C8H7ClN4O — CID 169462758

IUPAC2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol
SMILES[N-]=[N+]=NCC=Cc1nc(Cl)ccc1O
InChIInChI=1S/C8H7ClN4O/c9-8-4-3-7(14)6(12-8)2-1-5-11-13-10/h1-4,14H,5H2
InChIKeySXMMPMYDIGUJHQ-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.76
Rot. Bonds3

About 2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol

2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol (PubChem CID 169462758) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol
PubChem CID169462758
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol
SMILES[N-]=[N+]=NCC=Cc1nc(Cl)ccc1O
InChIInChI=1S/C8H7ClN4O/c9-8-4-3-7(14)6(12-8)2-1-5-11-13-10/h1-4,14H,5H2
InChIKeySXMMPMYDIGUJHQ-UHFFFAOYSA-N
XLogP2.76
TPSA81.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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

3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine
CID 169461551
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
4-(3-azidoprop-1-enyl)-2,3-difluorophenol
CID 169461687
3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine
CID 169461550
4-amino-2-(3-azidoprop-1-enyl)phenol
CID 169461517
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enal
CID 169460005
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
S-[4-(6-chloro-3-hydroxy-2-pyridinyl)but-3-enyl] ethanethioate
CID 170481198
6-(3-azidoprop-1-enyl)pyridin-3-ol
CID 169461303
4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine
CID 169462754
5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
CID 169461414

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol?
The IUPAC name of 2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol (CID 169462758) is 2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol?
The canonical SMILES for 2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol is [N-]=[N+]=NCC=Cc1nc(Cl)ccc1O.
What is the InChIKey of 2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol?
The InChIKey is SXMMPMYDIGUJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c9-8-4-3-7(14)6(12-8)2-1-5-11-13-10/h1-4,14H,5H2.
What are the key properties of 2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol?
2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol has a molecular weight of 210.62 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol is sourced from PubChem (CID 169462758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).