4-chloro-2-nitronaphthalen-1-ol

C10H6ClNO3 — CID 15009199

IUPAC4-chloro-2-nitronaphthalen-1-ol
SMILESO=[N+]([O-])c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C10H6ClNO3/c11-8-5-9(12(14)15)10(13)7-4-2-1-3-6(7)8/h1-5,13H
InChIKeyDLQPXZDZNKHRES-UHFFFAOYSA-N
MW223.62 g/mol
LogP3.11
Rot. Bonds1

About 4-chloro-2-nitronaphthalen-1-ol

4-chloro-2-nitronaphthalen-1-ol (PubChem CID 15009199) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 4-chloro-2-nitronaphthalen-1-ol.

Molecular Properties

Compound Name4-chloro-2-nitronaphthalen-1-ol
PubChem CID15009199
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name4-chloro-2-nitronaphthalen-1-ol
SMILESO=[N+]([O-])c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C10H6ClNO3/c11-8-5-9(12(14)15)10(13)7-4-2-1-3-6(7)8/h1-5,13H
InChIKeyDLQPXZDZNKHRES-UHFFFAOYSA-N
XLogP3.11
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 53.11
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 4-chloro-2-nitronaphthalen-1-ol?
The IUPAC name of 4-chloro-2-nitronaphthalen-1-ol (CID 15009199) is 4-chloro-2-nitronaphthalen-1-ol.
What is the SMILES notation for 4-chloro-2-nitronaphthalen-1-ol?
The canonical SMILES for 4-chloro-2-nitronaphthalen-1-ol is O=[N+]([O-])c1cc(Cl)c2ccccc2c1O.
What is the InChIKey of 4-chloro-2-nitronaphthalen-1-ol?
The InChIKey is DLQPXZDZNKHRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-8-5-9(12(14)15)10(13)7-4-2-1-3-6(7)8/h1-5,13H.
What are the key properties of 4-chloro-2-nitronaphthalen-1-ol?
4-chloro-2-nitronaphthalen-1-ol has a molecular weight of 223.62 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitronaphthalen-1-ol is sourced from PubChem (CID 15009199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).