2-nitropyridin-3-ol

C5H4N2O3 — CID 27057

IUPAC2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1ncccc1O
InChIInChI=1S/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H
InChIKeyQBPDSKPWYWIHGA-UHFFFAOYSA-N
MW140.10 g/mol
LogP0.70
Rot. Bonds1

About 2-nitropyridin-3-ol

2-nitropyridin-3-ol (PubChem CID 27057) has the molecular formula C5H4N2O3 and a molecular weight of 140.10 g/mol. Its IUPAC name is 2-nitropyridin-3-ol.

Molecular Properties

Compound Name2-nitropyridin-3-ol
PubChem CID27057
Molecular FormulaC5H4N2O3
Molecular Weight140.10 g/mol
Exact Mass140.02
IUPAC Name2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1ncccc1O
InChIInChI=1S/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H
InChIKeyQBPDSKPWYWIHGA-UHFFFAOYSA-N
XLogP0.70
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nitropyridin-3-ol?
The IUPAC name of 2-nitropyridin-3-ol (CID 27057) is 2-nitropyridin-3-ol.
What is the SMILES notation for 2-nitropyridin-3-ol?
The canonical SMILES for 2-nitropyridin-3-ol is O=[N+]([O-])c1ncccc1O.
What is the InChIKey of 2-nitropyridin-3-ol?
The InChIKey is QBPDSKPWYWIHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H.
What are the key properties of 2-nitropyridin-3-ol?
2-nitropyridin-3-ol has a molecular weight of 140.10 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitropyridin-3-ol is sourced from PubChem (CID 27057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).