(2-chlorofuran-3-yl)-pyrazin-2-ylmethanone

C9H5ClN2O2 — CID 106691020

IUPAC(2-chlorofuran-3-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)c1ccoc1Cl
InChIInChI=1S/C9H5ClN2O2/c10-9-6(1-4-14-9)8(13)7-5-11-2-3-12-7/h1-5H
InChIKeyHZWLYISAIDGPIM-UHFFFAOYSA-N
MW208.60 g/mol
LogP1.95
Rot. Bonds2

About (2-chlorofuran-3-yl)-pyrazin-2-ylmethanone

(2-chlorofuran-3-yl)-pyrazin-2-ylmethanone (PubChem CID 106691020) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-pyrazin-2-ylmethanone
PubChem CID106691020
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name(2-chlorofuran-3-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)c1ccoc1Cl
InChIInChI=1S/C9H5ClN2O2/c10-9-6(1-4-14-9)8(13)7-5-11-2-3-12-7/h1-5H
InChIKeyHZWLYISAIDGPIM-UHFFFAOYSA-N
XLogP1.95
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (2-chlorofuran-3-yl)-pyrazin-2-ylmethanone (CID 106691020) is (2-chlorofuran-3-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (2-chlorofuran-3-yl)-pyrazin-2-ylmethanone is O=C(c1cnccn1)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-pyrazin-2-ylmethanone?
The InChIKey is HZWLYISAIDGPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c10-9-6(1-4-14-9)8(13)7-5-11-2-3-12-7/h1-5H.
What are the key properties of (2-chlorofuran-3-yl)-pyrazin-2-ylmethanone?
(2-chlorofuran-3-yl)-pyrazin-2-ylmethanone has a molecular weight of 208.60 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 106691020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).