5-(difluoromethyl)-7-nitroquinolin-8-ol

C10H6F2N2O3 — CID 171471368

IUPAC5-(difluoromethyl)-7-nitroquinolin-8-ol
SMILESO=[N+]([O-])c1cc(C(F)F)c2cccnc2c1O
InChIInChI=1S/C10H6F2N2O3/c11-10(12)6-4-7(14(16)17)9(15)8-5(6)2-1-3-13-8/h1-4,10,15H
InChIKeyKBJRWPNJZUKOSG-UHFFFAOYSA-N
MW240.17 g/mol
LogP2.79
Rot. Bonds2

About 5-(difluoromethyl)-7-nitroquinolin-8-ol

5-(difluoromethyl)-7-nitroquinolin-8-ol (PubChem CID 171471368) has the molecular formula C10H6F2N2O3 and a molecular weight of 240.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-7-nitroquinolin-8-ol.

Molecular Properties

Compound Name5-(difluoromethyl)-7-nitroquinolin-8-ol
PubChem CID171471368
Molecular FormulaC10H6F2N2O3
Molecular Weight240.17 g/mol
Exact Mass240.03
IUPAC Name5-(difluoromethyl)-7-nitroquinolin-8-ol
SMILESO=[N+]([O-])c1cc(C(F)F)c2cccnc2c1O
InChIInChI=1S/C10H6F2N2O3/c11-10(12)6-4-7(14(16)17)9(15)8-5(6)2-1-3-13-8/h1-4,10,15H
InChIKeyKBJRWPNJZUKOSG-UHFFFAOYSA-N
XLogP2.79
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.79
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

7-bromo-5-nitroquinolin-8-ol
CID 14125599
7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-nitroquinolin-8-ol
CID 171983224
7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
CID 4142078
5-chloro-2-deuterio-7-nitroquinolin-8-ol
CID 170982612
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 1312452
4-fluoro-7-nitroquinolin-8-ol
CID 166150161
N-[(S)-(4-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
CID 1084548
N-[(3-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]acetamide
CID 59201782
1-(5-nitroquinolin-8-yl)-3-sulfanylpropane-1,2-diol
CID 170820854
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide
CID 67171815
N-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
CID 2921187
7-nitro-4-phenylquinolin-8-ol
CID 166150148

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-7-nitroquinolin-8-ol?
The IUPAC name of 5-(difluoromethyl)-7-nitroquinolin-8-ol (CID 171471368) is 5-(difluoromethyl)-7-nitroquinolin-8-ol.
What is the SMILES notation for 5-(difluoromethyl)-7-nitroquinolin-8-ol?
The canonical SMILES for 5-(difluoromethyl)-7-nitroquinolin-8-ol is O=[N+]([O-])c1cc(C(F)F)c2cccnc2c1O.
What is the InChIKey of 5-(difluoromethyl)-7-nitroquinolin-8-ol?
The InChIKey is KBJRWPNJZUKOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O3/c11-10(12)6-4-7(14(16)17)9(15)8-5(6)2-1-3-13-8/h1-4,10,15H.
What are the key properties of 5-(difluoromethyl)-7-nitroquinolin-8-ol?
5-(difluoromethyl)-7-nitroquinolin-8-ol has a molecular weight of 240.17 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-7-nitroquinolin-8-ol is sourced from PubChem (CID 171471368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).