4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline

C16H12FN3 — CID 126529174

IUPAC4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline
SMILESNc1ccc(-c2nccnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FN3/c17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12/h1-10H,18H2
InChIKeyZGWWTZKOGRWGBD-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.53
Rot. Bonds2

About 4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline

4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline (PubChem CID 126529174) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline
PubChem CID126529174
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline
SMILESNc1ccc(-c2nccnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FN3/c17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12/h1-10H,18H2
InChIKeyZGWWTZKOGRWGBD-UHFFFAOYSA-N
XLogP3.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;4-fluoroaniline;hydride
CID 173323574
2-(4-fluorophenyl)pyridin-3-ol
CID 22724568
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386907
8-(4-fluorophenyl)imidazo[1,2-a]pyrazine
CID 151841576
6-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 116822964
4-[3-(2-chloro-4-methylphenyl)pyrazin-2-yl]aniline
CID 126561564
4-[2-(4-fluorophenyl)-3-pyridinyl]pyrimidin-2-amine
CID 10220968
[2-(4-fluorophenyl)-3-pyridinyl]methanol
CID 22158045
4-fluoro-2-(4-fluorophenyl)pyridine-3-carbaldehyde
CID 118993010
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
2-[3-chloro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-amine
CID 156896188

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline?
The IUPAC name of 4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline (CID 126529174) is 4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline.
What is the SMILES notation for 4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline?
The canonical SMILES for 4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline is Nc1ccc(-c2nccnc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline?
The InChIKey is ZGWWTZKOGRWGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3/c17-13-5-1-11(2-6-13)15-16(20-10-9-19-15)12-3-7-14(18)8-4-12/h1-10H,18H2.
What are the key properties of 4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline?
4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline has a molecular weight of 265.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)pyrazin-2-yl]aniline is sourced from PubChem (CID 126529174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).