3,5-dichloro-6-fluoropyrazine-2-carbonitrile

C5Cl2FN3 — CID 157023097

IUPAC3,5-dichloro-6-fluoropyrazine-2-carbonitrile
SMILESN#Cc1nc(F)c(Cl)nc1Cl
InChIInChI=1S/C5Cl2FN3/c6-3-2(1-9)10-5(8)4(7)11-3
InChIKeySEOYTABYOKPFRM-UHFFFAOYSA-N
MW191.98 g/mol
LogP1.79
Rot. Bonds

About 3,5-dichloro-6-fluoropyrazine-2-carbonitrile

3,5-dichloro-6-fluoropyrazine-2-carbonitrile (PubChem CID 157023097) has the molecular formula C5Cl2FN3 and a molecular weight of 191.98 g/mol. Its IUPAC name is 3,5-dichloro-6-fluoropyrazine-2-carbonitrile.

Molecular Properties

Compound Name3,5-dichloro-6-fluoropyrazine-2-carbonitrile
PubChem CID157023097
Molecular FormulaC5Cl2FN3
Molecular Weight191.98 g/mol
Exact Mass190.95
IUPAC Name3,5-dichloro-6-fluoropyrazine-2-carbonitrile
SMILESN#Cc1nc(F)c(Cl)nc1Cl
InChIInChI=1S/C5Cl2FN3/c6-3-2(1-9)10-5(8)4(7)11-3
InChIKeySEOYTABYOKPFRM-UHFFFAOYSA-N
XLogP1.79
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.98
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-fluoropyrazine-2-carbonitrile?
The IUPAC name of 3,5-dichloro-6-fluoropyrazine-2-carbonitrile (CID 157023097) is 3,5-dichloro-6-fluoropyrazine-2-carbonitrile.
What is the SMILES notation for 3,5-dichloro-6-fluoropyrazine-2-carbonitrile?
The canonical SMILES for 3,5-dichloro-6-fluoropyrazine-2-carbonitrile is N#Cc1nc(F)c(Cl)nc1Cl.
What is the InChIKey of 3,5-dichloro-6-fluoropyrazine-2-carbonitrile?
The InChIKey is SEOYTABYOKPFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl2FN3/c6-3-2(1-9)10-5(8)4(7)11-3.
What are the key properties of 3,5-dichloro-6-fluoropyrazine-2-carbonitrile?
3,5-dichloro-6-fluoropyrazine-2-carbonitrile has a molecular weight of 191.98 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-fluoropyrazine-2-carbonitrile is sourced from PubChem (CID 157023097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).