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

C13H10N2O4 — CID 123506008

IUPAC(7-nitro-10H-phenoxazin-2-yl)methanol
SMILESO=[N+]([O-])c1ccc2c(c1)Oc1ccc(CO)cc1N2
InChIInChI=1S/C13H10N2O4/c16-7-8-1-4-12-11(5-8)14-10-3-2-9(15(17)18)6-13(10)19-12/h1-6,14,16H,7H2
InChIKeyVNBCMZCJBNANIC-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.94
Rot. Bonds2

About (7-nitro-10H-phenoxazin-2-yl)methanol

(7-nitro-10H-phenoxazin-2-yl)methanol (PubChem CID 123506008) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is (7-nitro-10H-phenoxazin-2-yl)methanol.

Molecular Properties

Compound Name(7-nitro-10H-phenoxazin-2-yl)methanol
PubChem CID123506008
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name(7-nitro-10H-phenoxazin-2-yl)methanol
SMILESO=[N+]([O-])c1ccc2c(c1)Oc1ccc(CO)cc1N2
InChIInChI=1S/C13H10N2O4/c16-7-8-1-4-12-11(5-8)14-10-3-2-9(15(17)18)6-13(10)19-12/h1-6,14,16H,7H2
InChIKeyVNBCMZCJBNANIC-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 (7-nitro-10H-phenoxazin-2-yl)methanol?
The IUPAC name of (7-nitro-10H-phenoxazin-2-yl)methanol (CID 123506008) is (7-nitro-10H-phenoxazin-2-yl)methanol.
What is the SMILES notation for (7-nitro-10H-phenoxazin-2-yl)methanol?
The canonical SMILES for (7-nitro-10H-phenoxazin-2-yl)methanol is O=[N+]([O-])c1ccc2c(c1)Oc1ccc(CO)cc1N2.
What is the InChIKey of (7-nitro-10H-phenoxazin-2-yl)methanol?
The InChIKey is VNBCMZCJBNANIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-7-8-1-4-12-11(5-8)14-10-3-2-9(15(17)18)6-13(10)19-12/h1-6,14,16H,7H2.
What are the key properties of (7-nitro-10H-phenoxazin-2-yl)methanol?
(7-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 (7-nitro-10H-phenoxazin-2-yl)methanol is sourced from PubChem (CID 123506008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).