quinoxaline-6-carboxylic acid chloride

C9H6ClN2O2- — CID 86626600

IUPACquinoxaline-6-carboxylic acid chloride
SMILESO=C(O)c1ccc2nccnc2c1.[Cl-]
InChIInChI=1S/C9H6N2O2.ClH/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7;/h1-5H,(H,12,13);1H/p-1
InChIKeyUZLRRQBHVGYHMG-UHFFFAOYSA-M
MW209.61 g/mol
LogP-1.67
Rot. Bonds1

About quinoxaline-6-carboxylic acid chloride

quinoxaline-6-carboxylic acid chloride (PubChem CID 86626600) has the molecular formula C9H6ClN2O2- and a molecular weight of 209.61 g/mol. Its IUPAC name is quinoxaline-6-carboxylic acid chloride.

Molecular Properties

Compound Namequinoxaline-6-carboxylic acid chloride
PubChem CID86626600
Molecular FormulaC9H6ClN2O2-
Molecular Weight209.61 g/mol
Exact Mass209.01
IUPAC Namequinoxaline-6-carboxylic acid chloride
SMILESO=C(O)c1ccc2nccnc2c1.[Cl-]
InChIInChI=1S/C9H6N2O2.ClH/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7;/h1-5H,(H,12,13);1H/p-1
InChIKeyUZLRRQBHVGYHMG-UHFFFAOYSA-M
XLogP-1.67
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.61
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dideuterioquinoxaline-6-carboxylic acid
CID 146455224
potassium quinoxaline-6-carboxylate
CID 23662165
3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene-6,16,26-tricarboxylic acid;hexakis(yttrium)
CID 91866629
4,4,4-trifluoro-1-quinoxalin-6-ylbutan-1-one
CID 64567570
ethane;quinoline-6-carboxylic acid
CID 91364452
2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 79814143
(2R)-3,3-dimethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 94881678
3,3-dimethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 62849345
4-methylquinoline-6-carboxylic acid;hydrochloride
CID 71811102
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 79010985
(2S,3R)-3-hydroxy-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 104964409

Frequently Asked Questions

What is the IUPAC name of quinoxaline-6-carboxylic acid chloride?
The IUPAC name of quinoxaline-6-carboxylic acid chloride (CID 86626600) is quinoxaline-6-carboxylic acid chloride.
What is the SMILES notation for quinoxaline-6-carboxylic acid chloride?
The canonical SMILES for quinoxaline-6-carboxylic acid chloride is O=C(O)c1ccc2nccnc2c1.[Cl-].
What is the InChIKey of quinoxaline-6-carboxylic acid chloride?
The InChIKey is UZLRRQBHVGYHMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6N2O2.ClH/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7;/h1-5H,(H,12,13);1H/p-1.
What are the key properties of quinoxaline-6-carboxylic acid chloride?
quinoxaline-6-carboxylic acid chloride has a molecular weight of 209.61 g/mol, XLogP of -1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxaline-6-carboxylic acid chloride is sourced from PubChem (CID 86626600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).