ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate

C11H10ClN3O2 — CID 18342946

IUPACethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)cnc2c1Cl
InChIInChI=1S/C11H10ClN3O2/c1-3-17-11(16)7-5-14-10-9(8(7)12)13-4-6(2)15-10/h4-5H,3H2,1-2H3
InChIKeyRFZOMPGPIRLOML-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.16
Rot. Bonds2

About ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate

ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate (PubChem CID 18342946) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate
PubChem CID18342946
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Nameethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)cnc2c1Cl
InChIInChI=1S/C11H10ClN3O2/c1-3-17-11(16)7-5-14-10-9(8(7)12)13-4-6(2)15-10/h4-5H,3H2,1-2H3
InChIKeyRFZOMPGPIRLOML-UHFFFAOYSA-N
XLogP2.16
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate
CID 10264278
ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 122442696
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494367
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate
CID 176685506
ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 131280462
ethyl 4-chloro-5-iodo-8-methylquinoline-3-carboxylate
CID 114257610
ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CID 11792955
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate?
The IUPAC name of ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate (CID 18342946) is ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate.
What is the SMILES notation for ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate?
The canonical SMILES for ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate is CCOC(=O)c1cnc2nc(C)cnc2c1Cl.
What is the InChIKey of ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate?
The InChIKey is RFZOMPGPIRLOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-3-17-11(16)7-5-14-10-9(8(7)12)13-4-6(2)15-10/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate?
ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate has a molecular weight of 251.67 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 18342946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).