methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate

C11H8ClN3O3 — CID 102580034

IUPACmethyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cn(-c2cnccn2)c(=O)cc1Cl
InChIInChI=1S/C11H8ClN3O3/c1-18-11(17)7-6-15(10(16)4-8(7)12)9-5-13-2-3-14-9/h2-6H,1H3
InChIKeyDPIQKNOBLGUYJH-UHFFFAOYSA-N
MW265.66 g/mol
LogP1.07
Rot. Bonds2

About methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate

methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate (PubChem CID 102580034) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate
PubChem CID102580034
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Namemethyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cn(-c2cnccn2)c(=O)cc1Cl
InChIInChI=1S/C11H8ClN3O3/c1-18-11(17)7-6-15(10(16)4-8(7)12)9-5-13-2-3-14-9/h2-6H,1H3
InChIKeyDPIQKNOBLGUYJH-UHFFFAOYSA-N
XLogP1.07
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl 4-(2-aminopyrimidin-5-yl)-2-chlorobenzoate
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methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate
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methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
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methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
methyl 2-chloro-5-methylsulfonyl-4-pyridin-3-ylbenzoate
CID 18920056
methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate
CID 135303887
1-pyrazin-2-ylindole-3-carboxylic acid
CID 90031352
methyl 3,7-dichloroquinoline-6-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate?
The IUPAC name of methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate (CID 102580034) is methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate is COC(=O)c1cn(-c2cnccn2)c(=O)cc1Cl.
What is the InChIKey of methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate?
The InChIKey is DPIQKNOBLGUYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c1-18-11(17)7-6-15(10(16)4-8(7)12)9-5-13-2-3-14-9/h2-6H,1H3.
What are the key properties of methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate?
methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate has a molecular weight of 265.66 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6-oxo-1-pyrazin-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 102580034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).