5-ethoxypyrazine-2-carbonyl chloride

C7H7ClN2O2 — CID 45081638

IUPAC5-ethoxypyrazine-2-carbonyl chloride
SMILESCCOc1cnc(C(=O)Cl)cn1
InChIInChI=1S/C7H7ClN2O2/c1-2-12-6-4-9-5(3-10-6)7(8)11/h3-4H,2H2,1H3
InChIKeyJZAJCSOXMLFIBA-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.25
Rot. Bonds3

About 5-ethoxypyrazine-2-carbonyl chloride

5-ethoxypyrazine-2-carbonyl chloride (PubChem CID 45081638) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 5-ethoxypyrazine-2-carbonyl chloride.

Molecular Properties

Compound Name5-ethoxypyrazine-2-carbonyl chloride
PubChem CID45081638
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name5-ethoxypyrazine-2-carbonyl chloride
SMILESCCOc1cnc(C(=O)Cl)cn1
InChIInChI=1S/C7H7ClN2O2/c1-2-12-6-4-9-5(3-10-6)7(8)11/h3-4H,2H2,1H3
InChIKeyJZAJCSOXMLFIBA-UHFFFAOYSA-N
XLogP1.25
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

5-methoxypyrazine-2-carbonyl chloride
CID 119084220
5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride
CID 121268136
2-ethoxy-5-iodopyrazine
CID 87678198
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-ethoxypyrazine-2-carboxamide
CID 166215462
(5-ethoxypyrazin-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 126781042
(5-chloro-2-methyl-2,3-dihydroindol-1-yl)-(5-ethoxypyrazin-2-yl)methanone
CID 138012731
5-ethoxy-N-methylpyrazin-2-amine
CID 133054646
2-ethylsulfonyl-1-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]ethanone
CID 140928213
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid
CID 104567375
(5-ethoxypyrazin-2-yl)-(3,4,7,8,9,10-hexahydro-1H-pyrazino[1,2-b]indazol-2-yl)methanone
CID 166358412
1-(5-ethoxypyrazin-2-yl)ethanamine
CID 118255855
5-chloro-2-ethoxypyridine
CID 4738274

Frequently Asked Questions

What is the IUPAC name of 5-ethoxypyrazine-2-carbonyl chloride?
The IUPAC name of 5-ethoxypyrazine-2-carbonyl chloride (CID 45081638) is 5-ethoxypyrazine-2-carbonyl chloride.
What is the SMILES notation for 5-ethoxypyrazine-2-carbonyl chloride?
The canonical SMILES for 5-ethoxypyrazine-2-carbonyl chloride is CCOc1cnc(C(=O)Cl)cn1.
What is the InChIKey of 5-ethoxypyrazine-2-carbonyl chloride?
The InChIKey is JZAJCSOXMLFIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-2-12-6-4-9-5(3-10-6)7(8)11/h3-4H,2H2,1H3.
What are the key properties of 5-ethoxypyrazine-2-carbonyl chloride?
5-ethoxypyrazine-2-carbonyl chloride has a molecular weight of 186.60 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxypyrazine-2-carbonyl chloride is sourced from PubChem (CID 45081638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).