(2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone

C11H9ClN2O4 — CID 106691245

IUPAC(2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone
SMILESCOc1cnc(C(=O)c2ccoc2Cl)c(OC)n1
InChIInChI=1S/C11H9ClN2O4/c1-16-7-5-13-8(11(14-7)17-2)9(15)6-3-4-18-10(6)12/h3-5H,1-2H3
InChIKeyNMHRCOVQKJCLBB-UHFFFAOYSA-N
MW268.66 g/mol
LogP1.97
Rot. Bonds4

About (2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone

(2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone (PubChem CID 106691245) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone
PubChem CID106691245
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC Name(2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone
SMILESCOc1cnc(C(=O)c2ccoc2Cl)c(OC)n1
InChIInChI=1S/C11H9ClN2O4/c1-16-7-5-13-8(11(14-7)17-2)9(15)6-3-4-18-10(6)12/h3-5H,1-2H3
InChIKeyNMHRCOVQKJCLBB-UHFFFAOYSA-N
XLogP1.97
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone (CID 106691245) is (2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone is COc1cnc(C(=O)c2ccoc2Cl)c(OC)n1.
What is the InChIKey of (2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone?
The InChIKey is NMHRCOVQKJCLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c1-16-7-5-13-8(11(14-7)17-2)9(15)6-3-4-18-10(6)12/h3-5H,1-2H3.
What are the key properties of (2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone?
(2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone has a molecular weight of 268.66 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone is sourced from PubChem (CID 106691245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).