6-nitropyridin-3-ol

C5H4N2O3 — CID 2762857

IUPAC6-nitropyridin-3-ol
SMILESO=[N+]([O-])c1ccc(O)cn1
InChIInChI=1S/C5H4N2O3/c8-4-1-2-5(6-3-4)7(9)10/h1-3,8H
InChIKeyLJFLBSBHQDJFQT-UHFFFAOYSA-N
MW140.10 g/mol
LogP0.70
Rot. Bonds1

About 6-nitropyridin-3-ol

6-nitropyridin-3-ol (PubChem CID 2762857) has the molecular formula C5H4N2O3 and a molecular weight of 140.10 g/mol. Its IUPAC name is 6-nitropyridin-3-ol.

Molecular Properties

Compound Name6-nitropyridin-3-ol
PubChem CID2762857
Molecular FormulaC5H4N2O3
Molecular Weight140.10 g/mol
Exact Mass140.02
IUPAC Name6-nitropyridin-3-ol
SMILESO=[N+]([O-])c1ccc(O)cn1
InChIInChI=1S/C5H4N2O3/c8-4-1-2-5(6-3-4)7(9)10/h1-3,8H
InChIKeyLJFLBSBHQDJFQT-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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Related Compounds

3-Hydroxypyridine
CID 7971
2-Amino-3-Hydroxypyridine
CID 28114
3-Hydroxy-2-nitropyridine
CID 27057
Pyridine, 3-ethoxy-2-nitro-
CID 52866
Pyridin-3-ol 1-oxide
CID 23069
6-Methyl-2-nitropyridin-3-ol
CID 84801
2-Amino-5-hydroxypyridine
CID 4231972
3-Methoxy-2-nitropyridine
CID 556063
3-Pyridinol, 2-((3-nitro-2-pyridinyl)amino)-
CID 5745455
6-Amino-5-methylpyridin-3-ol
CID 21436674
2-Amino-4-bromopyridin-3-ol
CID 21436680
3-Hydroxypyridine hydrochloride
CID 21561644

Frequently Asked Questions

What is the IUPAC name of 6-nitropyridin-3-ol?
The IUPAC name of 6-nitropyridin-3-ol (CID 2762857) is 6-nitropyridin-3-ol.
What is the SMILES notation for 6-nitropyridin-3-ol?
The canonical SMILES for 6-nitropyridin-3-ol is O=[N+]([O-])c1ccc(O)cn1.
What is the InChIKey of 6-nitropyridin-3-ol?
The InChIKey is LJFLBSBHQDJFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3/c8-4-1-2-5(6-3-4)7(9)10/h1-3,8H.
What are the key properties of 6-nitropyridin-3-ol?
6-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 6-nitropyridin-3-ol is sourced from PubChem (CID 2762857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).