5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol

C8H10N4O2 — CID 20577176

IUPAC5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CN=[N+]=[N-])c(CO)c1O
InChIInChI=1S/C8H10N4O2/c1-5-8(14)7(4-13)6(2-10-5)3-11-12-9/h2,13-14H,3-4H2,1H3
InChIKeySEPXIGHMSGMKSK-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.40
Rot. Bonds3

About 5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol

5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 20577176) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID20577176
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CN=[N+]=[N-])c(CO)c1O
InChIInChI=1S/C8H10N4O2/c1-5-8(14)7(4-13)6(2-10-5)3-11-12-9/h2,13-14H,3-4H2,1H3
InChIKeySEPXIGHMSGMKSK-UHFFFAOYSA-N
XLogP1.40
TPSA102.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol (CID 20577176) is 5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CN=[N+]=[N-])c(CO)c1O.
What is the InChIKey of 5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is SEPXIGHMSGMKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-5-8(14)7(4-13)6(2-10-5)3-11-12-9/h2,13-14H,3-4H2,1H3.
What are the key properties of 5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol?
5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 194.19 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 20577176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).