(2,6-dinitrosophenyl)methanol

C7H6N2O3 — CID 89119958

IUPAC(2,6-dinitrosophenyl)methanol
SMILESO=Nc1cccc(N=O)c1CO
InChIInChI=1S/C7H6N2O3/c10-4-5-6(8-11)2-1-3-7(5)9-12/h1-3,10H,4H2
InChIKeyQKPCQTLNNXADLG-UHFFFAOYSA-N
MW166.14 g/mol
LogP1.97
Rot. Bonds3

About (2,6-dinitrosophenyl)methanol

(2,6-dinitrosophenyl)methanol (PubChem CID 89119958) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is (2,6-dinitrosophenyl)methanol.

Molecular Properties

Compound Name(2,6-dinitrosophenyl)methanol
PubChem CID89119958
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name(2,6-dinitrosophenyl)methanol
SMILESO=Nc1cccc(N=O)c1CO
InChIInChI=1S/C7H6N2O3/c10-4-5-6(8-11)2-1-3-7(5)9-12/h1-3,10H,4H2
InChIKeyQKPCQTLNNXADLG-UHFFFAOYSA-N
XLogP1.97
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dinitrosophenyl)methanol?
The IUPAC name of (2,6-dinitrosophenyl)methanol (CID 89119958) is (2,6-dinitrosophenyl)methanol.
What is the SMILES notation for (2,6-dinitrosophenyl)methanol?
The canonical SMILES for (2,6-dinitrosophenyl)methanol is O=Nc1cccc(N=O)c1CO.
What is the InChIKey of (2,6-dinitrosophenyl)methanol?
The InChIKey is QKPCQTLNNXADLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c10-4-5-6(8-11)2-1-3-7(5)9-12/h1-3,10H,4H2.
What are the key properties of (2,6-dinitrosophenyl)methanol?
(2,6-dinitrosophenyl)methanol has a molecular weight of 166.14 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dinitrosophenyl)methanol is sourced from PubChem (CID 89119958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).