(2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate

C12H15ClN2O3 — CID 114035408

IUPAC(2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate
SMILESCC1CC(OC(=O)c2cncc(Cl)n2)CC(C)O1
InChIInChI=1S/C12H15ClN2O3/c1-7-3-9(4-8(2)17-7)18-12(16)10-5-14-6-11(13)15-10/h5-9H,3-4H2,1-2H3
InChIKeyLGJYHWAEOSHGRY-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.24
Rot. Bonds2

About (2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate

(2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate (PubChem CID 114035408) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is (2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Name(2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate
PubChem CID114035408
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name(2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate
SMILESCC1CC(OC(=O)c2cncc(Cl)n2)CC(C)O1
InChIInChI=1S/C12H15ClN2O3/c1-7-3-9(4-8(2)17-7)18-12(16)10-5-14-6-11(13)15-10/h5-9H,3-4H2,1-2H3
InChIKeyLGJYHWAEOSHGRY-UHFFFAOYSA-N
XLogP2.24
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethyloxan-4-yl) 3-fluoropyridine-4-carboxylate
CID 105076039
(2,6-dimethyloxan-4-yl) 2-amino-3,6-dichlorobenzoate
CID 107051597
(2,6-dimethyloxan-4-yl) 2-chloro-5-sulfanylbenzoate
CID 107019029
propan-2-yl 6-chloropyrazine-2-carboxylate
CID 106547521
(2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate
CID 113369215
(2,6-dimethyloxan-4-yl) 2,3-difluoropyridine-4-carboxylate
CID 105391857
[(2R,6S)-2,6-dimethyloxan-4-yl] 4-nitrobenzoate
CID 58498894
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103186815
bis(6-chloropyrazin-2-yl)methanone
CID 152688598
6-chloro-N-(2-methyloxan-4-yl)pyrazine-2-carboxamide
CID 106551626
methyl 2-(6-chloropyrazine-2-carbonyl)benzoate
CID 174797309
6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551213

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate?
The IUPAC name of (2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate (CID 114035408) is (2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate.
What is the SMILES notation for (2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate?
The canonical SMILES for (2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate is CC1CC(OC(=O)c2cncc(Cl)n2)CC(C)O1.
What is the InChIKey of (2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate?
The InChIKey is LGJYHWAEOSHGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-7-3-9(4-8(2)17-7)18-12(16)10-5-14-6-11(13)15-10/h5-9H,3-4H2,1-2H3.
What are the key properties of (2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate?
(2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate has a molecular weight of 270.72 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyloxan-4-yl) 6-chloropyrazine-2-carboxylate is sourced from PubChem (CID 114035408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).