methyl 2-chloroquinoxaline-6-carboxylate

C10H7ClN2O2 — CID 131395472

IUPACmethyl 2-chloroquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(Cl)cnc2c1
InChIInChI=1S/C10H7ClN2O2/c1-15-10(14)6-2-3-7-8(4-6)12-5-9(11)13-7/h2-5H,1H3
InChIKeyCOSQOHSOVULKHW-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.07
Rot. Bonds1

About methyl 2-chloroquinoxaline-6-carboxylate

methyl 2-chloroquinoxaline-6-carboxylate (PubChem CID 131395472) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is methyl 2-chloroquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloroquinoxaline-6-carboxylate
PubChem CID131395472
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Namemethyl 2-chloroquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(Cl)cnc2c1
InChIInChI=1S/C10H7ClN2O2/c1-15-10(14)6-2-3-7-8(4-6)12-5-9(11)13-7/h2-5H,1H3
InChIKeyCOSQOHSOVULKHW-UHFFFAOYSA-N
XLogP2.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-chlorophenazine-2-carboxylate
CID 154715967
methyl phenazine-2-carboxylate
CID 617185
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
methyl 3-bromoquinoline-7-carboxylate
CID 117100290
methyl 8-methoxyphenanthridine-3-carboxylate
CID 167513566
3-chloro-N-methoxy-N-methylquinoxaline-6-carboxamide;2-chloroquinoxaline-6-carbonyl chloride;3-chloroquinoxaline-6-carbonyl chloride;methane;methoxyethane;hydrochloride
CID 157460259
methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
CID 131839676
methyl 2H-benzotriazole-5-carboxylate
CID 6409672
methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate
CID 168731145
methyl 3-hydroxy-4-(quinoxalin-2-ylamino)benzoate
CID 136699990
methyl 2-chloro-6-deuteriopyridine-4-carboxylate
CID 44514608

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloroquinoxaline-6-carboxylate?
The IUPAC name of methyl 2-chloroquinoxaline-6-carboxylate (CID 131395472) is methyl 2-chloroquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-chloroquinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-chloroquinoxaline-6-carboxylate is COC(=O)c1ccc2nc(Cl)cnc2c1.
What is the InChIKey of methyl 2-chloroquinoxaline-6-carboxylate?
The InChIKey is COSQOHSOVULKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c1-15-10(14)6-2-3-7-8(4-6)12-5-9(11)13-7/h2-5H,1H3.
What are the key properties of methyl 2-chloroquinoxaline-6-carboxylate?
methyl 2-chloroquinoxaline-6-carboxylate has a molecular weight of 222.63 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloroquinoxaline-6-carboxylate is sourced from PubChem (CID 131395472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).