3-chloroquinoxaline-5-carboxylic acid

C9H5ClN2O2 — CID 115026152

IUPAC3-chloroquinoxaline-5-carboxylic acid
SMILESO=C(O)c1cccc2ncc(Cl)nc12
InChIInChI=1S/C9H5ClN2O2/c10-7-4-11-6-3-1-2-5(9(13)14)8(6)12-7/h1-4H,(H,13,14)
InChIKeyWUJYHLAXTZGWCK-UHFFFAOYSA-N
MW208.60 g/mol
LogP1.98
Rot. Bonds1

About 3-chloroquinoxaline-5-carboxylic acid

3-chloroquinoxaline-5-carboxylic acid (PubChem CID 115026152) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is 3-chloroquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name3-chloroquinoxaline-5-carboxylic acid
PubChem CID115026152
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name3-chloroquinoxaline-5-carboxylic acid
SMILESO=C(O)c1cccc2ncc(Cl)nc12
InChIInChI=1S/C9H5ClN2O2/c10-7-4-11-6-3-1-2-5(9(13)14)8(6)12-7/h1-4H,(H,13,14)
InChIKeyWUJYHLAXTZGWCK-UHFFFAOYSA-N
XLogP1.98
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloroquinoxaline-5-carbonyl chloride
CID 119088001
3-chloroquinoxaline-5-carbonitrile
CID 119083814
quinazoline-2,8-dicarboxylic acid
CID 54041183
4-methyl-1,5-naphthyridine-3-carboxylic acid
CID 90174831
3-methylquinoxaline-5-carboxamide
CID 58369280
6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid
CID 56928077
palladium;quinoline-8-carboxylic acid
CID 174945118
2-chloro-8-hydroxyquinoline-4-carboxylic acid
CID 115034200
11-chloro-10H-indolo[3,2-b]quinoline-9-carboxylic acid
CID 56651415
2-(6-chloropyrazin-2-yl)oxybenzoic acid
CID 114335564
1-(3-methoxyquinoxalin-5-yl)ethanone
CID 69059275
1,1'-biphenyl;2-chloroquinoxaline
CID 174991780

Frequently Asked Questions

What is the IUPAC name of 3-chloroquinoxaline-5-carboxylic acid?
The IUPAC name of 3-chloroquinoxaline-5-carboxylic acid (CID 115026152) is 3-chloroquinoxaline-5-carboxylic acid.
What is the SMILES notation for 3-chloroquinoxaline-5-carboxylic acid?
The canonical SMILES for 3-chloroquinoxaline-5-carboxylic acid is O=C(O)c1cccc2ncc(Cl)nc12.
What is the InChIKey of 3-chloroquinoxaline-5-carboxylic acid?
The InChIKey is WUJYHLAXTZGWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c10-7-4-11-6-3-1-2-5(9(13)14)8(6)12-7/h1-4H,(H,13,14).
What are the key properties of 3-chloroquinoxaline-5-carboxylic acid?
3-chloroquinoxaline-5-carboxylic acid has a molecular weight of 208.60 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroquinoxaline-5-carboxylic acid is sourced from PubChem (CID 115026152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).