2-pyrazin-2-yl-5-(trifluoromethyl)aniline

C11H8F3N3 — CID 114043499

IUPAC2-pyrazin-2-yl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1-c1cnccn1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)7-1-2-8(9(15)5-7)10-6-16-3-4-17-10/h1-6H,15H2
InChIKeyINYVLUHVMSECSH-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.74
Rot. Bonds1

About 2-pyrazin-2-yl-5-(trifluoromethyl)aniline

2-pyrazin-2-yl-5-(trifluoromethyl)aniline (PubChem CID 114043499) has the molecular formula C11H8F3N3 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-pyrazin-2-yl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-pyrazin-2-yl-5-(trifluoromethyl)aniline
PubChem CID114043499
Molecular FormulaC11H8F3N3
Molecular Weight239.20 g/mol
Exact Mass239.07
IUPAC Name2-pyrazin-2-yl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1-c1cnccn1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)7-1-2-8(9(15)5-7)10-6-16-3-4-17-10/h1-6H,15H2
InChIKeyINYVLUHVMSECSH-UHFFFAOYSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(trifluoromethyl)benzenethiol;hydron;chloride
CID 51064124
2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066
4-phenyl-6-(trifluoromethyl)quinolin-3-amine
CID 10469344
2-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 79530408
6-[2-methyl-4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 102755510
3-ethyl-4-pyrazin-2-ylaniline
CID 143125542
2-(2-fluoro-4-methylphenyl)pyrazine
CID 175164456
2-(2-methylphenyl)-5-(trifluoromethyl)aniline
CID 114043492
2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline
CID 155271467
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345
5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 102755489

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-pyrazin-2-yl-5-(trifluoromethyl)aniline (CID 114043499) is 2-pyrazin-2-yl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-pyrazin-2-yl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-pyrazin-2-yl-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1-c1cnccn1.
What is the InChIKey of 2-pyrazin-2-yl-5-(trifluoromethyl)aniline?
The InChIKey is INYVLUHVMSECSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3/c12-11(13,14)7-1-2-8(9(15)5-7)10-6-16-3-4-17-10/h1-6H,15H2.
What are the key properties of 2-pyrazin-2-yl-5-(trifluoromethyl)aniline?
2-pyrazin-2-yl-5-(trifluoromethyl)aniline has a molecular weight of 239.20 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 114043499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).