1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol

C10H5ClFN3O4 — CID 174367257

IUPAC1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol
SMILESO=[N+]([O-])c1c(Cl)c(F)cc2ncc(C(O)=CO)nc12
InChIInChI=1S/C10H5ClFN3O4/c11-8-4(12)1-5-9(10(8)15(18)19)14-6(2-13-5)7(17)3-16/h1-3,16-17H
InChIKeyMJWFRMXXFDAKKV-UHFFFAOYSA-N
MW285.62 g/mol
LogP2.74
Rot. Bonds2

About 1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol

1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol (PubChem CID 174367257) has the molecular formula C10H5ClFN3O4 and a molecular weight of 285.62 g/mol. Its IUPAC name is 1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol.

Molecular Properties

Compound Name1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol
PubChem CID174367257
Molecular FormulaC10H5ClFN3O4
Molecular Weight285.62 g/mol
Exact Mass285.00
IUPAC Name1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol
SMILESO=[N+]([O-])c1c(Cl)c(F)cc2ncc(C(O)=CO)nc12
InChIInChI=1S/C10H5ClFN3O4/c11-8-4(12)1-5-9(10(8)15(18)19)14-6(2-13-5)7(17)3-16/h1-3,16-17H
InChIKeyMJWFRMXXFDAKKV-UHFFFAOYSA-N
XLogP2.74
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.62
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3,6-trichloro-7-fluoro-5-nitroquinoxaline
CID 22097048
2,4-dichloro-1,5-difluoro-3-nitrobenzene
CID 10911296
4-chloro-5-fluoro-3-nitrobenzene-1,2-diol
CID 88756964
4-chloro-3,5-difluoro-N-methyl-2-nitroaniline
CID 122497392
6-chloro-7-fluoro-1,4-dihydroxy-5-nitroquinoxaline-2,3-dione
CID 70063138
4-chloro-7-fluoro-6-methoxy-2-(2-methylpropyl)-3-nitroquinoline
CID 103996648
4,5,7-trichloro-6-fluoro-3-nitroquinoline
CID 107577340
3-chloro-5-fluoro-4-nitropyridine
CID 131211572
2-chloro-7-fluoro-5-nitroquinoxaline
CID 174379231
6,7-dichloro-3-(1-hydroxyethyl)-5-nitroquinoxaline-2-carboxamide
CID 54409697
3-chloro-5-fluoro-2-nitropyridine
CID 130893942
2-chloro-1-fluoro-4-methyl-3-nitrobenzene
CID 130807356

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol?
The IUPAC name of 1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol (CID 174367257) is 1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol.
What is the SMILES notation for 1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol?
The canonical SMILES for 1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol is O=[N+]([O-])c1c(Cl)c(F)cc2ncc(C(O)=CO)nc12.
What is the InChIKey of 1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol?
The InChIKey is MJWFRMXXFDAKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3O4/c11-8-4(12)1-5-9(10(8)15(18)19)14-6(2-13-5)7(17)3-16/h1-3,16-17H.
What are the key properties of 1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol?
1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol has a molecular weight of 285.62 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-6-fluoro-8-nitroquinoxalin-2-yl)ethene-1,2-diol is sourced from PubChem (CID 174367257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).