(2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone

C10H7ClN2O3 — CID 106691249

IUPAC(2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1ccoc1Cl
InChIInChI=1S/C10H7ClN2O3/c1-15-10-7(12-3-4-13-10)8(14)6-2-5-16-9(6)11/h2-5H,1H3
InChIKeyJDYWRZHBNCMABG-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.96
Rot. Bonds3

About (2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone

(2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone (PubChem CID 106691249) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone
PubChem CID106691249
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name(2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1ccoc1Cl
InChIInChI=1S/C10H7ClN2O3/c1-15-10-7(12-3-4-13-10)8(14)6-2-5-16-9(6)11/h2-5H,1H3
InChIKeyJDYWRZHBNCMABG-UHFFFAOYSA-N
XLogP1.96
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone (CID 106691249) is (2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is JDYWRZHBNCMABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c1-15-10-7(12-3-4-13-10)8(14)6-2-5-16-9(6)11/h2-5H,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone?
(2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 238.63 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 106691249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).