ethyl 3-chloro-5-methylpyrazine-2-carboxylate

C8H9ClN2O2 — CID 131280462

IUPACethyl 3-chloro-5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)nc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-7(9)11-5(2)4-10-6/h4H,3H2,1-2H3
InChIKeyLZCHEXJJOKRTHE-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.62
Rot. Bonds2

About ethyl 3-chloro-5-methylpyrazine-2-carboxylate

ethyl 3-chloro-5-methylpyrazine-2-carboxylate (PubChem CID 131280462) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is ethyl 3-chloro-5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-5-methylpyrazine-2-carboxylate
PubChem CID131280462
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Nameethyl 3-chloro-5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)nc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-7(9)11-5(2)4-10-6/h4H,3H2,1-2H3
InChIKeyLZCHEXJJOKRTHE-UHFFFAOYSA-N
XLogP1.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3,5-dichloropyrazine-2-carboxylate
CID 53419466
1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 145442850
ethyl 3-chloro-6-iodopyrazine-2-carboxylate
CID 139269907
ethyl 6-bromo-3-chloropyrazine-2-carboxylate
CID 130955436
diethyl 3,4,5-trichloropyridine-2,6-dicarboxylate;ethane
CID 145166855
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 8-chloro-3-methylpyrido[2,3-b]pyrazine-7-carboxylate
CID 18342946
5-chloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 131431578
4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 141464389
ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate
CID 175867783
ethyl 5-chloro-2H-triazole-4-carboxylate
CID 6405202
ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate
CID 151173932

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-5-methylpyrazine-2-carboxylate?
The IUPAC name of ethyl 3-chloro-5-methylpyrazine-2-carboxylate (CID 131280462) is ethyl 3-chloro-5-methylpyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-chloro-5-methylpyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-chloro-5-methylpyrazine-2-carboxylate is CCOC(=O)c1ncc(C)nc1Cl.
What is the InChIKey of ethyl 3-chloro-5-methylpyrazine-2-carboxylate?
The InChIKey is LZCHEXJJOKRTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-7(9)11-5(2)4-10-6/h4H,3H2,1-2H3.
What are the key properties of ethyl 3-chloro-5-methylpyrazine-2-carboxylate?
ethyl 3-chloro-5-methylpyrazine-2-carboxylate has a molecular weight of 200.62 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 131280462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).