3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile

C11H5ClF2N4 — CID 83087195

IUPAC3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H5ClF2N4/c12-7-3-6(13)4-8(14)10(7)18-11-9(5-15)16-1-2-17-11/h1-4H,(H,17,18)
InChIKeyBEHDTXOHXRCZKE-UHFFFAOYSA-N
MW266.64 g/mol
LogP3.02
Rot. Bonds2

About 3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile

3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile (PubChem CID 83087195) has the molecular formula C11H5ClF2N4 and a molecular weight of 266.64 g/mol. Its IUPAC name is 3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile
PubChem CID83087195
Molecular FormulaC11H5ClF2N4
Molecular Weight266.64 g/mol
Exact Mass266.02
IUPAC Name3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H5ClF2N4/c12-7-3-6(13)4-8(14)10(7)18-11-9(5-15)16-1-2-17-11/h1-4H,(H,17,18)
InChIKeyBEHDTXOHXRCZKE-UHFFFAOYSA-N
XLogP3.02
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile (CID 83087195) is 3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile is N#Cc1nccnc1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile?
The InChIKey is BEHDTXOHXRCZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF2N4/c12-7-3-6(13)4-8(14)10(7)18-11-9(5-15)16-1-2-17-11/h1-4H,(H,17,18).
What are the key properties of 3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile?
3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile has a molecular weight of 266.64 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile is sourced from PubChem (CID 83087195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).