2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone

C13H10ClFN2O — CID 103042852

IUPAC2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C13H10ClFN2O/c1-8-6-17-12(7-16-8)13(18)5-9-2-3-11(15)10(14)4-9/h2-4,6-7H,5H2,1H3
InChIKeyNMTZMBQCDHKGIK-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.00
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone

2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone (PubChem CID 103042852) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
PubChem CID103042852
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C13H10ClFN2O/c1-8-6-17-12(7-16-8)13(18)5-9-2-3-11(15)10(14)4-9/h2-4,6-7H,5H2,1H3
InChIKeyNMTZMBQCDHKGIK-UHFFFAOYSA-N
XLogP3.00
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone (CID 103042852) is 2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone is Cc1cnc(C(=O)Cc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
The InChIKey is NMTZMBQCDHKGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-8-6-17-12(7-16-8)13(18)5-9-2-3-11(15)10(14)4-9/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone?
2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone has a molecular weight of 264.69 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 103042852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).