3-chloroquinoxaline-5-carbonyl chloride

C9H4Cl2N2O — CID 119088001

IUPAC3-chloroquinoxaline-5-carbonyl chloride
SMILESO=C(Cl)c1cccc2ncc(Cl)nc12
InChIInChI=1S/C9H4Cl2N2O/c10-7-4-12-6-3-1-2-5(9(11)14)8(6)13-7/h1-4H
InChIKeyRJVDCKJXRXPMGJ-UHFFFAOYSA-N
MW227.05 g/mol
LogP2.66
Rot. Bonds1

About 3-chloroquinoxaline-5-carbonyl chloride

3-chloroquinoxaline-5-carbonyl chloride (PubChem CID 119088001) has the molecular formula C9H4Cl2N2O and a molecular weight of 227.05 g/mol. Its IUPAC name is 3-chloroquinoxaline-5-carbonyl chloride.

Molecular Properties

Compound Name3-chloroquinoxaline-5-carbonyl chloride
PubChem CID119088001
Molecular FormulaC9H4Cl2N2O
Molecular Weight227.05 g/mol
Exact Mass225.97
IUPAC Name3-chloroquinoxaline-5-carbonyl chloride
SMILESO=C(Cl)c1cccc2ncc(Cl)nc12
InChIInChI=1S/C9H4Cl2N2O/c10-7-4-12-6-3-1-2-5(9(11)14)8(6)13-7/h1-4H
InChIKeyRJVDCKJXRXPMGJ-UHFFFAOYSA-N
XLogP2.66
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.05
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloroquinoxaline-5-carboxylic acid
CID 115026152
phenazine-1-carbonyl chloride
CID 71668468
3-chloroquinoxaline-5-carbonitrile
CID 119083814
3-methylquinoxaline-5-carboxamide
CID 58369280
1-(3-methoxyquinoxalin-5-yl)ethanone
CID 69059275
2,7,8-trichloroquinoxaline
CID 15841153
2-chloropyrido[3,2-f]quinoxaline
CID 129033345
3-methylquinoline-4-carbonyl chloride
CID 119093566
methyl 3-ethoxyquinoxaline-5-carboxylate
CID 142784976
1,1'-biphenyl;2-chloroquinoxaline
CID 174991780
2-chloroquinoline-8-carboxamide
CID 118665273
3-(4-cyanophenyl)quinoxaline-5-carboxamide
CID 25218518

Frequently Asked Questions

What is the IUPAC name of 3-chloroquinoxaline-5-carbonyl chloride?
The IUPAC name of 3-chloroquinoxaline-5-carbonyl chloride (CID 119088001) is 3-chloroquinoxaline-5-carbonyl chloride.
What is the SMILES notation for 3-chloroquinoxaline-5-carbonyl chloride?
The canonical SMILES for 3-chloroquinoxaline-5-carbonyl chloride is O=C(Cl)c1cccc2ncc(Cl)nc12.
What is the InChIKey of 3-chloroquinoxaline-5-carbonyl chloride?
The InChIKey is RJVDCKJXRXPMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2O/c10-7-4-12-6-3-1-2-5(9(11)14)8(6)13-7/h1-4H.
What are the key properties of 3-chloroquinoxaline-5-carbonyl chloride?
3-chloroquinoxaline-5-carbonyl chloride has a molecular weight of 227.05 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroquinoxaline-5-carbonyl chloride is sourced from PubChem (CID 119088001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).