quinolin-3-ol;2,4,6-trinitrophenol

C15H10N4O8 — CID 172885267

IUPACquinolin-3-ol;2,4,6-trinitrophenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.Oc1cnc2ccccc2c1
InChIInChI=1S/C9H7NO.C6H3N3O7/c11-8-5-7-3-1-2-4-9(7)10-6-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-6,11H;1-2,10H
InChIKeyYYCNAGRRWLMYDE-UHFFFAOYSA-N
MW374.27 g/mol
LogP3.06
Rot. Bonds3

About quinolin-3-ol;2,4,6-trinitrophenol

quinolin-3-ol;2,4,6-trinitrophenol (PubChem CID 172885267) has the molecular formula C15H10N4O8 and a molecular weight of 374.27 g/mol. Its IUPAC name is quinolin-3-ol;2,4,6-trinitrophenol.

Molecular Properties

Compound Namequinolin-3-ol;2,4,6-trinitrophenol
PubChem CID172885267
Molecular FormulaC15H10N4O8
Molecular Weight374.27 g/mol
Exact Mass374.05
IUPAC Namequinolin-3-ol;2,4,6-trinitrophenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.Oc1cnc2ccccc2c1
InChIInChI=1S/C9H7NO.C6H3N3O7/c11-8-5-7-3-1-2-4-9(7)10-6-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-6,11H;1-2,10H
InChIKeyYYCNAGRRWLMYDE-UHFFFAOYSA-N
XLogP3.06
TPSA182.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

2-aminoquinoline-3-carboxylic acid;2,4,6-trinitrophenol
CID 2750069
1H-benzimidazole;2,4,6-trinitrophenol
CID 71363503
cobalt;2,4,6-trinitrophenol
CID 88826081
thorium;2,4,6-trinitrophenol
CID 88723018
manganese;bis(2,4,6-trinitrophenol)
CID 131879151
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
CID 87277719
CID 87277719
titanium;2,4,6-trinitrophenol
CID 175328132
4-methylisoquinoline;2,4,6-trinitrophenol
CID 172885305
benzimidazol-1-amine;2,4,6-trinitrophenol
CID 71346533
2-(2,3,4,5,6-pentafluorophenyl)quinoline;2,4,6-trinitrophenol
CID 13224233
pyridin-2-amine;2,4,6-trinitrophenol
CID 54605967

Frequently Asked Questions

What is the IUPAC name of quinolin-3-ol;2,4,6-trinitrophenol?
The IUPAC name of quinolin-3-ol;2,4,6-trinitrophenol (CID 172885267) is quinolin-3-ol;2,4,6-trinitrophenol.
What is the SMILES notation for quinolin-3-ol;2,4,6-trinitrophenol?
The canonical SMILES for quinolin-3-ol;2,4,6-trinitrophenol is O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.Oc1cnc2ccccc2c1.
What is the InChIKey of quinolin-3-ol;2,4,6-trinitrophenol?
The InChIKey is YYCNAGRRWLMYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C6H3N3O7/c11-8-5-7-3-1-2-4-9(7)10-6-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-6,11H;1-2,10H.
What are the key properties of quinolin-3-ol;2,4,6-trinitrophenol?
quinolin-3-ol;2,4,6-trinitrophenol has a molecular weight of 374.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-3-ol;2,4,6-trinitrophenol is sourced from PubChem (CID 172885267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).