quinoxaline-6-carbonyl chloride

C9H5ClN2O — CID 2776328

IUPACquinoxaline-6-carbonyl chloride
SMILESO=C(Cl)c1ccc2nccnc2c1
InChIInChI=1S/C9H5ClN2O/c10-9(13)6-1-2-7-8(5-6)12-4-3-11-7/h1-5H
InChIKeyUTEQROVYZDJSOO-UHFFFAOYSA-N
MW192.61 g/mol
LogP2.01
Rot. Bonds1

About quinoxaline-6-carbonyl chloride

quinoxaline-6-carbonyl chloride (PubChem CID 2776328) has the molecular formula C9H5ClN2O and a molecular weight of 192.61 g/mol. Its IUPAC name is quinoxaline-6-carbonyl chloride.

Molecular Properties

Compound Namequinoxaline-6-carbonyl chloride
PubChem CID2776328
Molecular FormulaC9H5ClN2O
Molecular Weight192.61 g/mol
Exact Mass192.01
IUPAC Namequinoxaline-6-carbonyl chloride
SMILESO=C(Cl)c1ccc2nccnc2c1
InChIInChI=1S/C9H5ClN2O/c10-9(13)6-1-2-7-8(5-6)12-4-3-11-7/h1-5H
InChIKeyUTEQROVYZDJSOO-UHFFFAOYSA-N
XLogP2.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinoxaline-6-carbonyl chloride?
The IUPAC name of quinoxaline-6-carbonyl chloride (CID 2776328) is quinoxaline-6-carbonyl chloride.
What is the SMILES notation for quinoxaline-6-carbonyl chloride?
The canonical SMILES for quinoxaline-6-carbonyl chloride is O=C(Cl)c1ccc2nccnc2c1.
What is the InChIKey of quinoxaline-6-carbonyl chloride?
The InChIKey is UTEQROVYZDJSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O/c10-9(13)6-1-2-7-8(5-6)12-4-3-11-7/h1-5H.
What are the key properties of quinoxaline-6-carbonyl chloride?
quinoxaline-6-carbonyl chloride has a molecular weight of 192.61 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxaline-6-carbonyl chloride is sourced from PubChem (CID 2776328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).