2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide

C11H7Br2F2N3O2 — CID 63569614

IUPAC2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide
SMILESNNC(=O)C(F)(F)Oc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C11H7Br2F2N3O2/c12-6-4-7(13)9(8-5(6)2-1-3-17-8)20-11(14,15)10(19)18-16/h1-4H,16H2,(H,18,19)
InChIKeyKIXZWWCGEAALKP-UHFFFAOYSA-N
MW411.00 g/mol
LogP2.72
Rot. Bonds3

About 2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide

2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide (PubChem CID 63569614) has the molecular formula C11H7Br2F2N3O2 and a molecular weight of 411.00 g/mol. Its IUPAC name is 2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide.

Molecular Properties

Compound Name2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide
PubChem CID63569614
Molecular FormulaC11H7Br2F2N3O2
Molecular Weight411.00 g/mol
Exact Mass408.89
IUPAC Name2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide
SMILESNNC(=O)C(F)(F)Oc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C11H7Br2F2N3O2/c12-6-4-7(13)9(8-5(6)2-1-3-17-8)20-11(14,15)10(19)18-16/h1-4H,16H2,(H,18,19)
InChIKeyKIXZWWCGEAALKP-UHFFFAOYSA-N
XLogP2.72
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.00
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
5,7-dibromo-8-methoxyquinoline
CID 10805403
2-(5,7-dibromoquinolin-8-yl)ethyl methyl carbonate
CID 21069694
5-bromo-8-fluoroquinoline-7-carboxylic acid
CID 171366048
4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine
CID 62597239
6-(5,7-dibromoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 171115063
3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine
CID 62597922
2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid
CID 107140830
5-bromo-8-methoxy-7-methylquinoline
CID 90145888
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 91455867
8-bromo-6-fluoroquinoline-5-carboxamide
CID 177323704
(2S)-2-(5,7-dibromoquinolin-8-yl)oxy-N,N-dimethyl-2-phenylacetamide
CID 26011285

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide?
The IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide (CID 63569614) is 2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide.
What is the SMILES notation for 2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide?
The canonical SMILES for 2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide is NNC(=O)C(F)(F)Oc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of 2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide?
The InChIKey is KIXZWWCGEAALKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2F2N3O2/c12-6-4-7(13)9(8-5(6)2-1-3-17-8)20-11(14,15)10(19)18-16/h1-4H,16H2,(H,18,19).
What are the key properties of 2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide?
2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide has a molecular weight of 411.00 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dibromoquinolin-8-yl)oxy-2,2-difluoroacetohydrazide is sourced from PubChem (CID 63569614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).