2-chloro-5-(3-ethoxyphenyl)pyrazine

C12H11ClN2O — CID 56721049

IUPAC2-chloro-5-(3-ethoxyphenyl)pyrazine
SMILESCCOc1cccc(-c2cnc(Cl)cn2)c1
InChIInChI=1S/C12H11ClN2O/c1-2-16-10-5-3-4-9(6-10)11-7-15-12(13)8-14-11/h3-8H,2H2,1H3
InChIKeyYTFNSNSBYXKAQH-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.20
Rot. Bonds3

About 2-chloro-5-(3-ethoxyphenyl)pyrazine

2-chloro-5-(3-ethoxyphenyl)pyrazine (PubChem CID 56721049) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-chloro-5-(3-ethoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-chloro-5-(3-ethoxyphenyl)pyrazine
PubChem CID56721049
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-chloro-5-(3-ethoxyphenyl)pyrazine
SMILESCCOc1cccc(-c2cnc(Cl)cn2)c1
InChIInChI=1S/C12H11ClN2O/c1-2-16-10-5-3-4-9(6-10)11-7-15-12(13)8-14-11/h3-8H,2H2,1H3
InChIKeyYTFNSNSBYXKAQH-UHFFFAOYSA-N
XLogP3.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
CID 43557478
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine
CID 74241458
2-chloro-5-pyridin-3-ylpyrazine
CID 130802155
2-chloro-4-(3-ethoxyphenoxy)-5-methylpyridine
CID 83266855
2-chloro-5-(3,4-dichlorophenyl)pyrazine
CID 12671441
4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine
CID 68775587
1-tert-butyl-3-(3-ethoxyphenyl)pyrazole
CID 174113162
2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688216
2,5-dichloro-4-(3-ethoxyphenyl)phenol
CID 107663392
4-(3-ethoxyphenyl)-1H-pyridazin-6-one
CID 106519861
2-(3-ethoxyphenyl)-1H-pyridine-4-thione
CID 106519869

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-ethoxyphenyl)pyrazine?
The IUPAC name of 2-chloro-5-(3-ethoxyphenyl)pyrazine (CID 56721049) is 2-chloro-5-(3-ethoxyphenyl)pyrazine.
What is the SMILES notation for 2-chloro-5-(3-ethoxyphenyl)pyrazine?
The canonical SMILES for 2-chloro-5-(3-ethoxyphenyl)pyrazine is CCOc1cccc(-c2cnc(Cl)cn2)c1.
What is the InChIKey of 2-chloro-5-(3-ethoxyphenyl)pyrazine?
The InChIKey is YTFNSNSBYXKAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-2-16-10-5-3-4-9(6-10)11-7-15-12(13)8-14-11/h3-8H,2H2,1H3.
What are the key properties of 2-chloro-5-(3-ethoxyphenyl)pyrazine?
2-chloro-5-(3-ethoxyphenyl)pyrazine has a molecular weight of 234.69 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-ethoxyphenyl)pyrazine is sourced from PubChem (CID 56721049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).