bis(6-chloropyrazin-2-yl)methanone

C9H4Cl2N4O — CID 152688598

IUPACbis(6-chloropyrazin-2-yl)methanone
SMILESO=C(c1cncc(Cl)n1)c1cncc(Cl)n1
InChIInChI=1S/C9H4Cl2N4O/c10-7-3-12-1-5(14-7)9(16)6-2-13-4-8(11)15-6/h1-4H
InChIKeyZPCKFGRJSTVHHN-UHFFFAOYSA-N
MW255.06 g/mol
LogP1.80
Rot. Bonds2

About bis(6-chloropyrazin-2-yl)methanone

bis(6-chloropyrazin-2-yl)methanone (PubChem CID 152688598) has the molecular formula C9H4Cl2N4O and a molecular weight of 255.06 g/mol. Its IUPAC name is bis(6-chloropyrazin-2-yl)methanone.

Molecular Properties

Compound Namebis(6-chloropyrazin-2-yl)methanone
PubChem CID152688598
Molecular FormulaC9H4Cl2N4O
Molecular Weight255.06 g/mol
Exact Mass253.98
IUPAC Namebis(6-chloropyrazin-2-yl)methanone
SMILESO=C(c1cncc(Cl)n1)c1cncc(Cl)n1
InChIInChI=1S/C9H4Cl2N4O/c10-7-3-12-1-5(14-7)9(16)6-2-13-4-8(11)15-6/h1-4H
InChIKeyZPCKFGRJSTVHHN-UHFFFAOYSA-N
XLogP1.80
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.06
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(6-chloropyrazin-2-yl)methanone?
The IUPAC name of bis(6-chloropyrazin-2-yl)methanone (CID 152688598) is bis(6-chloropyrazin-2-yl)methanone.
What is the SMILES notation for bis(6-chloropyrazin-2-yl)methanone?
The canonical SMILES for bis(6-chloropyrazin-2-yl)methanone is O=C(c1cncc(Cl)n1)c1cncc(Cl)n1.
What is the InChIKey of bis(6-chloropyrazin-2-yl)methanone?
The InChIKey is ZPCKFGRJSTVHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N4O/c10-7-3-12-1-5(14-7)9(16)6-2-13-4-8(11)15-6/h1-4H.
What are the key properties of bis(6-chloropyrazin-2-yl)methanone?
bis(6-chloropyrazin-2-yl)methanone has a molecular weight of 255.06 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-chloropyrazin-2-yl)methanone is sourced from PubChem (CID 152688598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).