1-nitronaphthalen-2-ol

C10H7NO3 — CID 11075

IUPAC1-nitronaphthalen-2-ol
SMILESO=[N+]([O-])c1c(O)ccc2ccccc12
InChIInChI=1S/C10H7NO3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H
InChIKeySSHIVHKMGVBXTJ-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.45
Rot. Bonds1

About 1-nitronaphthalen-2-ol

1-nitronaphthalen-2-ol (PubChem CID 11075) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 1-nitronaphthalen-2-ol.

Molecular Properties

Compound Name1-nitronaphthalen-2-ol
PubChem CID11075
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name1-nitronaphthalen-2-ol
SMILESO=[N+]([O-])c1c(O)ccc2ccccc12
InChIInChI=1S/C10H7NO3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H
InChIKeySSHIVHKMGVBXTJ-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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Frequently Asked Questions

What is the IUPAC name of 1-nitronaphthalen-2-ol?
The IUPAC name of 1-nitronaphthalen-2-ol (CID 11075) is 1-nitronaphthalen-2-ol.
What is the SMILES notation for 1-nitronaphthalen-2-ol?
The canonical SMILES for 1-nitronaphthalen-2-ol is O=[N+]([O-])c1c(O)ccc2ccccc12.
What is the InChIKey of 1-nitronaphthalen-2-ol?
The InChIKey is SSHIVHKMGVBXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H.
What are the key properties of 1-nitronaphthalen-2-ol?
1-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 1-nitronaphthalen-2-ol is sourced from PubChem (CID 11075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).