6-isocyanopyridin-3-ol

C6H4N2O — CID 46398147

IUPAC6-isocyanopyridin-3-ol
SMILES[C-]#[N+]c1ccc(O)cn1
InChIInChI=1S/C6H4N2O/c1-7-6-3-2-5(9)4-8-6/h2-4,9H
InChIKeyKMYRUUSIOTYIQM-UHFFFAOYSA-N
MW120.11 g/mol
LogP1.34
Rot. Bonds

About 6-isocyanopyridin-3-ol

6-isocyanopyridin-3-ol (PubChem CID 46398147) has the molecular formula C6H4N2O and a molecular weight of 120.11 g/mol. Its IUPAC name is 6-isocyanopyridin-3-ol.

Molecular Properties

Compound Name6-isocyanopyridin-3-ol
PubChem CID46398147
Molecular FormulaC6H4N2O
Molecular Weight120.11 g/mol
Exact Mass120.03
IUPAC Name6-isocyanopyridin-3-ol
SMILES[C-]#[N+]c1ccc(O)cn1
InChIInChI=1S/C6H4N2O/c1-7-6-3-2-5(9)4-8-6/h2-4,9H
InChIKeyKMYRUUSIOTYIQM-UHFFFAOYSA-N
XLogP1.34
TPSA37.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-isocyanopyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-isocyanopyridin-3-ol?
The IUPAC name of 6-isocyanopyridin-3-ol (CID 46398147) is 6-isocyanopyridin-3-ol.
What is the SMILES notation for 6-isocyanopyridin-3-ol?
The canonical SMILES for 6-isocyanopyridin-3-ol is [C-]#[N+]c1ccc(O)cn1.
What is the InChIKey of 6-isocyanopyridin-3-ol?
The InChIKey is KMYRUUSIOTYIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O/c1-7-6-3-2-5(9)4-8-6/h2-4,9H.
What are the key properties of 6-isocyanopyridin-3-ol?
6-isocyanopyridin-3-ol has a molecular weight of 120.11 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isocyanopyridin-3-ol is sourced from PubChem (CID 46398147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).