3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol

C15H10N2O4 — CID 60870486

IUPAC3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(Oc2cc3ccccc3cc2O)nc1
InChIInChI=1S/C15H10N2O4/c18-13-7-10-3-1-2-4-11(10)8-14(13)21-15-6-5-12(9-16-15)17(19)20/h1-9,18H
InChIKeyNCWKZKPRBFFCOJ-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.64
Rot. Bonds3

About 3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol

3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol (PubChem CID 60870486) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol.

Molecular Properties

Compound Name3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol
PubChem CID60870486
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(Oc2cc3ccccc3cc2O)nc1
InChIInChI=1S/C15H10N2O4/c18-13-7-10-3-1-2-4-11(10)8-14(13)21-15-6-5-12(9-16-15)17(19)20/h1-9,18H
InChIKeyNCWKZKPRBFFCOJ-UHFFFAOYSA-N
XLogP3.64
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-3-[(5-nitro-2-pyridinyl)oxy]phenol
CID 60871042
6-[(5-nitro-2-pyridinyl)oxy]quinoline
CID 47082227
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136
2-(2,5-difluorophenoxy)-5-nitropyridine
CID 118138295
2-(2-bromo-4-fluorophenoxy)-5-nitropyridine
CID 24507910
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956
5-nitro-2-pyridin-1-ium-3-yloxypyridine
CID 5105142
1-[3-chloro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 86796225
5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride
CID 44887432
methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54065265
3-nitronaphthalen-2-ol
CID 15859501

Frequently Asked Questions

What is the IUPAC name of 3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol?
The IUPAC name of 3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol (CID 60870486) is 3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol.
What is the SMILES notation for 3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol?
The canonical SMILES for 3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol is O=[N+]([O-])c1ccc(Oc2cc3ccccc3cc2O)nc1.
What is the InChIKey of 3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol?
The InChIKey is NCWKZKPRBFFCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-13-7-10-3-1-2-4-11(10)8-14(13)21-15-6-5-12(9-16-15)17(19)20/h1-9,18H.
What are the key properties of 3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol?
3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol has a molecular weight of 282.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol is sourced from PubChem (CID 60870486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).