2-deuterio-7-nitroquinolin-8-ol

C9H6N2O3 — CID 170982608

IUPAC2-deuterio-7-nitroquinolin-8-ol
SMILES[2H]c1ccc2ccc([N+](=O)[O-])c(O)c2n1
InChIInChI=1S/C9H6N2O3/c12-9-7(11(13)14)4-3-6-2-1-5-10-8(6)9/h1-5,12H/i5D
InChIKeyRPJWQGVDVSVGPQ-UICOGKGYSA-N
MW191.16 g/mol
LogP1.85
Rot. Bonds1

About 2-deuterio-7-nitroquinolin-8-ol

2-deuterio-7-nitroquinolin-8-ol (PubChem CID 170982608) has the molecular formula C9H6N2O3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 2-deuterio-7-nitroquinolin-8-ol.

Molecular Properties

Compound Name2-deuterio-7-nitroquinolin-8-ol
PubChem CID170982608
Molecular FormulaC9H6N2O3
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Name2-deuterio-7-nitroquinolin-8-ol
SMILES[2H]c1ccc2ccc([N+](=O)[O-])c(O)c2n1
InChIInChI=1S/C9H6N2O3/c12-9-7(11(13)14)4-3-6-2-1-5-10-8(6)9/h1-5,12H/i5D
InChIKeyRPJWQGVDVSVGPQ-UICOGKGYSA-N
XLogP1.85
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

5-chloro-2-deuterio-7-nitroquinolin-8-ol
CID 170982612
4-chlorobenzoic acid;7-nitroquinolin-8-ol
CID 23620171
3-chlorobenzoic acid;7-nitroquinolin-8-ol
CID 23620172
4-ethoxybenzoic acid;7-nitroquinolin-8-ol
CID 23620183
7-nitroquinolin-8-amine
CID 12663942
4-fluoro-7-nitroquinolin-8-ol
CID 166150161
7-nitro-4-phenylquinolin-8-ol
CID 166150148
N-methyl-7-nitroquinolin-8-amine
CID 131339088
4-chloro-7-nitro-3-phenylquinolin-8-ol
CID 166150290
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
2-bromo-9-deuterio-1,10-phenanthroline;2,9-dibromo-1,10-phenanthroline;methane
CID 165025943

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-7-nitroquinolin-8-ol?
The IUPAC name of 2-deuterio-7-nitroquinolin-8-ol (CID 170982608) is 2-deuterio-7-nitroquinolin-8-ol.
What is the SMILES notation for 2-deuterio-7-nitroquinolin-8-ol?
The canonical SMILES for 2-deuterio-7-nitroquinolin-8-ol is [2H]c1ccc2ccc([N+](=O)[O-])c(O)c2n1.
What is the InChIKey of 2-deuterio-7-nitroquinolin-8-ol?
The InChIKey is RPJWQGVDVSVGPQ-UICOGKGYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-9-7(11(13)14)4-3-6-2-1-5-10-8(6)9/h1-5,12H/i5D.
What are the key properties of 2-deuterio-7-nitroquinolin-8-ol?
2-deuterio-7-nitroquinolin-8-ol has a molecular weight of 191.16 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-7-nitroquinolin-8-ol is sourced from PubChem (CID 170982608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).