[5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol

C9H10N4O — CID 169461523

IUPAC[5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol
SMILES[N-]=[N+]=NCC=Cc1ccc(CO)nc1
InChIInChI=1S/C9H10N4O/c10-13-12-5-1-2-8-3-4-9(7-14)11-6-8/h1-4,6,14H,5,7H2
InChIKeyPNYKPMHESJQHTL-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.90
Rot. Bonds4

About [5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol

[5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol (PubChem CID 169461523) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is [5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol
PubChem CID169461523
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name[5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol
SMILES[N-]=[N+]=NCC=Cc1ccc(CO)nc1
InChIInChI=1S/C9H10N4O/c10-13-12-5-1-2-8-3-4-9(7-14)11-6-8/h1-4,6,14H,5,7H2
InChIKeyPNYKPMHESJQHTL-UHFFFAOYSA-N
XLogP1.90
TPSA81.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of [5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol?
The IUPAC name of [5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol (CID 169461523) is [5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol is [N-]=[N+]=NCC=Cc1ccc(CO)nc1.
What is the InChIKey of [5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol?
The InChIKey is PNYKPMHESJQHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-13-12-5-1-2-8-3-4-9(7-14)11-6-8/h1-4,6,14H,5,7H2.
What are the key properties of [5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol?
[5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol has a molecular weight of 190.21 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-azidoprop-1-enyl)-2-pyridinyl]methanol is sourced from PubChem (CID 169461523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).