3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline

C13H11F3N2 — CID 172651447

IUPAC3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline
SMILESCc1cc(-c2cc(N)cc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C13H11F3N2/c1-8-4-9(2-3-18-8)10-5-11(13(14,15)16)7-12(17)6-10/h2-7H,17H2,1H3
InChIKeyDYJLRKISQVONPS-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.66
Rot. Bonds1

About 3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline

3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline (PubChem CID 172651447) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline
PubChem CID172651447
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline
SMILESCc1cc(-c2cc(N)cc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C13H11F3N2/c1-8-4-9(2-3-18-8)10-5-11(13(14,15)16)7-12(17)6-10/h2-7H,17H2,1H3
InChIKeyDYJLRKISQVONPS-UHFFFAOYSA-N
XLogP3.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-4-yl-5-(trifluoromethyl)aniline
CID 46317180
3-(furan-3-yl)-5-(trifluoromethyl)aniline
CID 165490108
3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline
CID 172651452
2-methyl-4-(trifluoromethyl)pyridine;propane
CID 143330484
3-[2-(dimethylamino)ethoxy]-5-(2-methyl-4-pyridinyl)aniline
CID 67496300
2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline
CID 107616009
2-chloro-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyridine
CID 157088405
methyl 3-[3-amino-5-(trifluoromethyl)phenyl]benzoate
CID 171392128
3-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 61235672
3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171394091
4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 143532720
2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 121499050

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline (CID 172651447) is 3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline is Cc1cc(-c2cc(N)cc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline?
The InChIKey is DYJLRKISQVONPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-8-4-9(2-3-18-8)10-5-11(13(14,15)16)7-12(17)6-10/h2-7H,17H2,1H3.
What are the key properties of 3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline?
3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline has a molecular weight of 252.24 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 172651447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).