3-nitronaphthalen-2-ol

C10H7NO3 — CID 15859501

IUPAC3-nitronaphthalen-2-ol
SMILESO=[N+]([O-])c1cc2ccccc2cc1O
InChIInChI=1S/C10H7NO3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H
InChIKeyMUELWRJOJXBHPA-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.45
Rot. Bonds1

About 3-nitronaphthalen-2-ol

3-nitronaphthalen-2-ol (PubChem CID 15859501) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-nitronaphthalen-2-ol.

Molecular Properties

Compound Name3-nitronaphthalen-2-ol
PubChem CID15859501
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name3-nitronaphthalen-2-ol
SMILESO=[N+]([O-])c1cc2ccccc2cc1O
InChIInChI=1S/C10H7NO3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H
InChIKeyMUELWRJOJXBHPA-UHFFFAOYSA-N
XLogP2.45
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,3-dinitrohexacene
CID 101108857
(3-nitronaphthalen-2-yl)boronic acid
CID 140905609
(3-nitronaphthalen-2-yl)methanol
CID 4076989
3-nitronaphthalene-2-carbaldehyde
CID 12069028
methanol;2-nitrophenol
CID 157303764
disodium;hydride;2-nitrophenol
CID 174745512
2-nitro-4-phenoxyphenol
CID 10775849
2-nitro-4-phenylphenol
CID 13447
2-nitro-4-[2,2,2-trifluoro-1-(4-hydroxy-3-nitrophenyl)-1-naphthalen-2-ylethyl]phenol
CID 139934179
(E)-3-(3-nitronaphthalen-2-yl)prop-2-enoic acid
CID 58683730
6-[(4-hydroxy-3-nitrophenyl)diazenyl]naphthalene-2,3-diol
CID 136597366
sodium naphthalene-2,3-diol
CID 23069442

Frequently Asked Questions

What is the IUPAC name of 3-nitronaphthalen-2-ol?
The IUPAC name of 3-nitronaphthalen-2-ol (CID 15859501) is 3-nitronaphthalen-2-ol.
What is the SMILES notation for 3-nitronaphthalen-2-ol?
The canonical SMILES for 3-nitronaphthalen-2-ol is O=[N+]([O-])c1cc2ccccc2cc1O.
What is the InChIKey of 3-nitronaphthalen-2-ol?
The InChIKey is MUELWRJOJXBHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H.
What are the key properties of 3-nitronaphthalen-2-ol?
3-nitronaphthalen-2-ol has a molecular weight of 189.17 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitronaphthalen-2-ol is sourced from PubChem (CID 15859501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).