2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine

C13H10F4N2 — CID 113367381

IUPAC2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESCc1ccc(C(F)(F)F)cc1Nc1ccnc(F)c1
InChIInChI=1S/C13H10F4N2/c1-8-2-3-9(13(15,16)17)6-11(8)19-10-4-5-18-12(14)7-10/h2-7H,1H3,(H,18,19)
InChIKeyXXLQLRXHZJDDKX-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.29
Rot. Bonds2

About 2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine

2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine (PubChem CID 113367381) has the molecular formula C13H10F4N2 and a molecular weight of 270.23 g/mol. Its IUPAC name is 2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine.

Molecular Properties

Compound Name2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine
PubChem CID113367381
Molecular FormulaC13H10F4N2
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESCc1ccc(C(F)(F)F)cc1Nc1ccnc(F)c1
InChIInChI=1S/C13H10F4N2/c1-8-2-3-9(13(15,16)17)6-11(8)19-10-4-5-18-12(14)7-10/h2-7H,1H3,(H,18,19)
InChIKeyXXLQLRXHZJDDKX-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine 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

N-[2-bromo-5-(trifluoromethyl)phenyl]-2-fluoropyridin-4-amine
CID 114043480
2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532338
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270
5-methoxy-3-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 80738994
N-[2-methyl-5-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79504007
4-iodo-1-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 66480127
4-N-(2,5-dimethylphenyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902505
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 114837222
5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 66481516
(1R,2R,4S,5R,6S)-4-(2-fluoro-4-pyridinyl)-6-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide
CID 162711430
6-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 66477569

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine?
The IUPAC name of 2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine (CID 113367381) is 2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine.
What is the SMILES notation for 2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine?
The canonical SMILES for 2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine is Cc1ccc(C(F)(F)F)cc1Nc1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine?
The InChIKey is XXLQLRXHZJDDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2/c1-8-2-3-9(13(15,16)17)6-11(8)19-10-4-5-18-12(14)7-10/h2-7H,1H3,(H,18,19).
What are the key properties of 2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine?
2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine has a molecular weight of 270.23 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 113367381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).