5-chloropyrazine-2-carboxylate

C5H2ClN2O2- — CID 19037960

IUPAC5-chloropyrazine-2-carboxylate
SMILESO=C([O-])c1cnc(Cl)cn1
InChIInChI=1S/C5H3ClN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)/p-1
InChIKeyFXJOTWLLDJYKAG-UHFFFAOYSA-M
MW157.54 g/mol
LogP-0.51
Rot. Bonds1

About 5-chloropyrazine-2-carboxylate

5-chloropyrazine-2-carboxylate (PubChem CID 19037960) has the molecular formula C5H2ClN2O2- and a molecular weight of 157.54 g/mol. Its IUPAC name is 5-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Name5-chloropyrazine-2-carboxylate
PubChem CID19037960
Molecular FormulaC5H2ClN2O2-
Molecular Weight157.54 g/mol
Exact Mass156.98
IUPAC Name5-chloropyrazine-2-carboxylate
SMILESO=C([O-])c1cnc(Cl)cn1
InChIInChI=1S/C5H3ClN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)/p-1
InChIKeyFXJOTWLLDJYKAG-UHFFFAOYSA-M
XLogP-0.51
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.54
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

formyl 5-chloropyrazine-2-carboxylate
CID 91069657
2-chloro-5-(1-fluoro-2-iodoethenyl)pyrazine
CID 135126004
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate
CID 107371904
6-chloropyridine-3-carboxylate
CID 6933309
N-(2-amino-2-oxoethyl)-5-chloropyrazine-2-carboxamide
CID 107243491
1-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103803140
5-chloro-N-(2,4,5-trichlorophenyl)pyrazine-2-carboxamide
CID 107371747
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
5-ethoxycarbonylpyrazine-2-carboxylate
CID 86656579
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
CID 103817085

Frequently Asked Questions

What is the IUPAC name of 5-chloropyrazine-2-carboxylate?
The IUPAC name of 5-chloropyrazine-2-carboxylate (CID 19037960) is 5-chloropyrazine-2-carboxylate.
What is the SMILES notation for 5-chloropyrazine-2-carboxylate?
The canonical SMILES for 5-chloropyrazine-2-carboxylate is O=C([O-])c1cnc(Cl)cn1.
What is the InChIKey of 5-chloropyrazine-2-carboxylate?
The InChIKey is FXJOTWLLDJYKAG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3ClN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)/p-1.
What are the key properties of 5-chloropyrazine-2-carboxylate?
5-chloropyrazine-2-carboxylate has a molecular weight of 157.54 g/mol, XLogP of -0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyrazine-2-carboxylate is sourced from PubChem (CID 19037960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).