(9-nitro-10H-phenoxazin-2-yl)methanol

C13H10N2O4 — CID 123368358

IUPAC(9-nitro-10H-phenoxazin-2-yl)methanol
SMILESO=[N+]([O-])c1cccc2c1Nc1cc(CO)ccc1O2
InChIInChI=1S/C13H10N2O4/c16-7-8-4-5-11-9(6-8)14-13-10(15(17)18)2-1-3-12(13)19-11/h1-6,14,16H,7H2
InChIKeyIFIHRFNXLVPUHV-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.94
Rot. Bonds2

About (9-nitro-10H-phenoxazin-2-yl)methanol

(9-nitro-10H-phenoxazin-2-yl)methanol (PubChem CID 123368358) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is (9-nitro-10H-phenoxazin-2-yl)methanol.

Molecular Properties

Compound Name(9-nitro-10H-phenoxazin-2-yl)methanol
PubChem CID123368358
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name(9-nitro-10H-phenoxazin-2-yl)methanol
SMILESO=[N+]([O-])c1cccc2c1Nc1cc(CO)ccc1O2
InChIInChI=1S/C13H10N2O4/c16-7-8-4-5-11-9(6-8)14-13-10(15(17)18)2-1-3-12(13)19-11/h1-6,14,16H,7H2
InChIKeyIFIHRFNXLVPUHV-UHFFFAOYSA-N
XLogP2.94
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.94
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of (9-nitro-10H-phenoxazin-2-yl)methanol?
The IUPAC name of (9-nitro-10H-phenoxazin-2-yl)methanol (CID 123368358) is (9-nitro-10H-phenoxazin-2-yl)methanol.
What is the SMILES notation for (9-nitro-10H-phenoxazin-2-yl)methanol?
The canonical SMILES for (9-nitro-10H-phenoxazin-2-yl)methanol is O=[N+]([O-])c1cccc2c1Nc1cc(CO)ccc1O2.
What is the InChIKey of (9-nitro-10H-phenoxazin-2-yl)methanol?
The InChIKey is IFIHRFNXLVPUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-7-8-4-5-11-9(6-8)14-13-10(15(17)18)2-1-3-12(13)19-11/h1-6,14,16H,7H2.
What are the key properties of (9-nitro-10H-phenoxazin-2-yl)methanol?
(9-nitro-10H-phenoxazin-2-yl)methanol has a molecular weight of 258.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-nitro-10H-phenoxazin-2-yl)methanol is sourced from PubChem (CID 123368358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).