methyl 2-(6-chloropyrazin-2-yl)benzoate

C12H9ClN2O2 — CID 162718783

IUPACmethyl 2-(6-chloropyrazin-2-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1cncc(Cl)n1
InChIInChI=1S/C12H9ClN2O2/c1-17-12(16)9-5-3-2-4-8(9)10-6-14-7-11(13)15-10/h2-7H,1H3
InChIKeyHAERJWBHWNPESC-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.58
Rot. Bonds2

About methyl 2-(6-chloropyrazin-2-yl)benzoate

methyl 2-(6-chloropyrazin-2-yl)benzoate (PubChem CID 162718783) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is methyl 2-(6-chloropyrazin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(6-chloropyrazin-2-yl)benzoate
PubChem CID162718783
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Namemethyl 2-(6-chloropyrazin-2-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1cncc(Cl)n1
InChIInChI=1S/C12H9ClN2O2/c1-17-12(16)9-5-3-2-4-8(9)10-6-14-7-11(13)15-10/h2-7H,1H3
InChIKeyHAERJWBHWNPESC-UHFFFAOYSA-N
XLogP2.58
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(6-chloropyrazine-2-carbonyl)benzoate
CID 174797309
methyl 2-(1,7-dichloro-2,6-naphthyridin-3-yl)benzoate
CID 168932078
methyl 2-(2-chlorophenyl)benzoate
CID 1393589
methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
CID 167450752
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 174727553
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate
CID 142384414
methyl 2-(3-bromo-5-chlorophenyl)benzoate
CID 142754386
methyl 2-[3-(chloromethyl)-5-(2-methoxycarbonylphenyl)phenyl]benzoate
CID 122364093
methyl 2-triphenylen-2-ylbenzoate
CID 142724319
dimethyl 2-(2-chlorobenzoyl)-6-(2-chlorophenyl)pyridine-3,4-dicarboxylate
CID 135067934

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloropyrazin-2-yl)benzoate?
The IUPAC name of methyl 2-(6-chloropyrazin-2-yl)benzoate (CID 162718783) is methyl 2-(6-chloropyrazin-2-yl)benzoate.
What is the SMILES notation for methyl 2-(6-chloropyrazin-2-yl)benzoate?
The canonical SMILES for methyl 2-(6-chloropyrazin-2-yl)benzoate is COC(=O)c1ccccc1-c1cncc(Cl)n1.
What is the InChIKey of methyl 2-(6-chloropyrazin-2-yl)benzoate?
The InChIKey is HAERJWBHWNPESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-17-12(16)9-5-3-2-4-8(9)10-6-14-7-11(13)15-10/h2-7H,1H3.
What are the key properties of methyl 2-(6-chloropyrazin-2-yl)benzoate?
methyl 2-(6-chloropyrazin-2-yl)benzoate has a molecular weight of 248.67 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloropyrazin-2-yl)benzoate is sourced from PubChem (CID 162718783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).