methyl 2-(6-chloropyrazine-2-carbonyl)benzoate

C13H9ClN2O3 — CID 174797309

IUPACmethyl 2-(6-chloropyrazine-2-carbonyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1cncc(Cl)n1
InChIInChI=1S/C13H9ClN2O3/c1-19-13(18)9-5-3-2-4-8(9)12(17)10-6-15-7-11(14)16-10/h2-7H,1H3
InChIKeyKYQWGFAVFRGNKF-UHFFFAOYSA-N
MW276.68 g/mol
LogP2.15
Rot. Bonds3

About methyl 2-(6-chloropyrazine-2-carbonyl)benzoate

methyl 2-(6-chloropyrazine-2-carbonyl)benzoate (PubChem CID 174797309) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is methyl 2-(6-chloropyrazine-2-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(6-chloropyrazine-2-carbonyl)benzoate
PubChem CID174797309
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Namemethyl 2-(6-chloropyrazine-2-carbonyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1cncc(Cl)n1
InChIInChI=1S/C13H9ClN2O3/c1-19-13(18)9-5-3-2-4-8(9)12(17)10-6-15-7-11(14)16-10/h2-7H,1H3
InChIKeyKYQWGFAVFRGNKF-UHFFFAOYSA-N
XLogP2.15
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(6-chloropyrazin-2-yl)benzoate
CID 162718783
bis(6-chloropyrazin-2-yl)methanone
CID 152688598
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate
CID 10734366
methyl 2-(2-aminobenzoyl)benzoate
CID 83381352
2-chloro-6-[methoxy(oxetan-2-ylidene)methyl]pyrazine
CID 123328937
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
propan-2-yl 6-chloropyrazine-2-carboxylate
CID 106547521
6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 106551480
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
methyl 6-(2-chlorophenyl)sulfanylpyrazine-2-carboxylate
CID 66451749

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloropyrazine-2-carbonyl)benzoate?
The IUPAC name of methyl 2-(6-chloropyrazine-2-carbonyl)benzoate (CID 174797309) is methyl 2-(6-chloropyrazine-2-carbonyl)benzoate.
What is the SMILES notation for methyl 2-(6-chloropyrazine-2-carbonyl)benzoate?
The canonical SMILES for methyl 2-(6-chloropyrazine-2-carbonyl)benzoate is COC(=O)c1ccccc1C(=O)c1cncc(Cl)n1.
What is the InChIKey of methyl 2-(6-chloropyrazine-2-carbonyl)benzoate?
The InChIKey is KYQWGFAVFRGNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c1-19-13(18)9-5-3-2-4-8(9)12(17)10-6-15-7-11(14)16-10/h2-7H,1H3.
What are the key properties of methyl 2-(6-chloropyrazine-2-carbonyl)benzoate?
methyl 2-(6-chloropyrazine-2-carbonyl)benzoate has a molecular weight of 276.68 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloropyrazine-2-carbonyl)benzoate is sourced from PubChem (CID 174797309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).