8-nitro-1,2,3,4-tetrahydroquinolin-5-ol

C9H10N2O3 — CID 133057648

IUPAC8-nitro-1,2,3,4-tetrahydroquinolin-5-ol
SMILESO=[N+]([O-])c1ccc(O)c2c1NCCC2
InChIInChI=1S/C9H10N2O3/c12-8-4-3-7(11(13)14)9-6(8)2-1-5-10-9/h3-4,10,12H,1-2,5H2
InChIKeyUVRUJOXWIXQERJ-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.66
Rot. Bonds1

About 8-nitro-1,2,3,4-tetrahydroquinolin-5-ol

8-nitro-1,2,3,4-tetrahydroquinolin-5-ol (PubChem CID 133057648) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 8-nitro-1,2,3,4-tetrahydroquinolin-5-ol.

Molecular Properties

Compound Name8-nitro-1,2,3,4-tetrahydroquinolin-5-ol
PubChem CID133057648
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name8-nitro-1,2,3,4-tetrahydroquinolin-5-ol
SMILESO=[N+]([O-])c1ccc(O)c2c1NCCC2
InChIInChI=1S/C9H10N2O3/c12-8-4-3-7(11(13)14)9-6(8)2-1-5-10-9/h3-4,10,12H,1-2,5H2
InChIKeyUVRUJOXWIXQERJ-UHFFFAOYSA-N
XLogP1.66
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.66
H-Bond Donors ≤ 52
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

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5-nitro-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 71432719
7-chloro-4-nitro-2,3-dihydro-1H-indole
CID 57437687
7-bromo-6-nitro-2,3-dihydro-1H-indole
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5,7-dinitro-1,2,3,4-tetrahydroquinoline
CID 129353947
6-iodo-8-nitro-1,2,3,4-tetrahydroquinoline
CID 133055063
6-methyl-7-nitro-1,2,3,4-tetrahydroquinoline
CID 59442001
8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
CID 62378003
4-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 140896345
1,2,3,4,6,7,8,9-octahydropyrido[3,2-g]quinoline;bis(2,4,6-trinitrophenol)
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CID 171196666

Frequently Asked Questions

What is the IUPAC name of 8-nitro-1,2,3,4-tetrahydroquinolin-5-ol?
The IUPAC name of 8-nitro-1,2,3,4-tetrahydroquinolin-5-ol (CID 133057648) is 8-nitro-1,2,3,4-tetrahydroquinolin-5-ol.
What is the SMILES notation for 8-nitro-1,2,3,4-tetrahydroquinolin-5-ol?
The canonical SMILES for 8-nitro-1,2,3,4-tetrahydroquinolin-5-ol is O=[N+]([O-])c1ccc(O)c2c1NCCC2.
What is the InChIKey of 8-nitro-1,2,3,4-tetrahydroquinolin-5-ol?
The InChIKey is UVRUJOXWIXQERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8-4-3-7(11(13)14)9-6(8)2-1-5-10-9/h3-4,10,12H,1-2,5H2.
What are the key properties of 8-nitro-1,2,3,4-tetrahydroquinolin-5-ol?
8-nitro-1,2,3,4-tetrahydroquinolin-5-ol has a molecular weight of 194.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-1,2,3,4-tetrahydroquinolin-5-ol is sourced from PubChem (CID 133057648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).