bis(3,5-dichloropyrazin-2-yl)methanone

C9H2Cl4N4O — CID 174592625

IUPACbis(3,5-dichloropyrazin-2-yl)methanone
SMILESO=C(c1ncc(Cl)nc1Cl)c1ncc(Cl)nc1Cl
InChIInChI=1S/C9H2Cl4N4O/c10-3-1-14-5(8(12)16-3)7(18)6-9(13)17-4(11)2-15-6/h1-2H
InChIKeyKXHFTYRFVMNLBC-UHFFFAOYSA-N
MW323.95 g/mol
LogP3.11
Rot. Bonds2

About bis(3,5-dichloropyrazin-2-yl)methanone

bis(3,5-dichloropyrazin-2-yl)methanone (PubChem CID 174592625) has the molecular formula C9H2Cl4N4O and a molecular weight of 323.95 g/mol. Its IUPAC name is bis(3,5-dichloropyrazin-2-yl)methanone.

Molecular Properties

Compound Namebis(3,5-dichloropyrazin-2-yl)methanone
PubChem CID174592625
Molecular FormulaC9H2Cl4N4O
Molecular Weight323.95 g/mol
Exact Mass321.90
IUPAC Namebis(3,5-dichloropyrazin-2-yl)methanone
SMILESO=C(c1ncc(Cl)nc1Cl)c1ncc(Cl)nc1Cl
InChIInChI=1S/C9H2Cl4N4O/c10-3-1-14-5(8(12)16-3)7(18)6-9(13)17-4(11)2-15-6/h1-2H
InChIKeyKXHFTYRFVMNLBC-UHFFFAOYSA-N
XLogP3.11
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.95
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-dichloropyrazin-2-yl)methanone?
The IUPAC name of bis(3,5-dichloropyrazin-2-yl)methanone (CID 174592625) is bis(3,5-dichloropyrazin-2-yl)methanone.
What is the SMILES notation for bis(3,5-dichloropyrazin-2-yl)methanone?
The canonical SMILES for bis(3,5-dichloropyrazin-2-yl)methanone is O=C(c1ncc(Cl)nc1Cl)c1ncc(Cl)nc1Cl.
What is the InChIKey of bis(3,5-dichloropyrazin-2-yl)methanone?
The InChIKey is KXHFTYRFVMNLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2Cl4N4O/c10-3-1-14-5(8(12)16-3)7(18)6-9(13)17-4(11)2-15-6/h1-2H.
What are the key properties of bis(3,5-dichloropyrazin-2-yl)methanone?
bis(3,5-dichloropyrazin-2-yl)methanone has a molecular weight of 323.95 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dichloropyrazin-2-yl)methanone is sourced from PubChem (CID 174592625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).