3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile

C12H7F3N4 — CID 62685374

IUPAC3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)8-2-1-3-9(6-8)19-11-10(7-16)17-4-5-18-11/h1-6H,(H,18,19)
InChIKeyKVKPZTPHTHNUOW-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.11
Rot. Bonds2

About 3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile

3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile (PubChem CID 62685374) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile
PubChem CID62685374
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)8-2-1-3-9(6-8)19-11-10(7-16)17-4-5-18-11/h1-6H,(H,18,19)
InChIKeyKVKPZTPHTHNUOW-UHFFFAOYSA-N
XLogP3.11
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile (CID 62685374) is 3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile is N#Cc1nccnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile?
The InChIKey is KVKPZTPHTHNUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-12(14,15)8-2-1-3-9(6-8)19-11-10(7-16)17-4-5-18-11/h1-6H,(H,18,19).
What are the key properties of 3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile?
3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile has a molecular weight of 264.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62685374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).