4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline

C13H11F3N2 — CID 172651572

IUPAC4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline
SMILESCc1ccc(-c2ccc(N)cc2C(F)(F)F)cn1
InChIInChI=1S/C13H11F3N2/c1-8-2-3-9(7-18-8)11-5-4-10(17)6-12(11)13(14,15)16/h2-7H,17H2,1H3
InChIKeyNLSZEBCVXVYAJT-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.66
Rot. Bonds1

About 4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline

4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline (PubChem CID 172651572) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline
PubChem CID172651572
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline
SMILESCc1ccc(-c2ccc(N)cc2C(F)(F)F)cn1
InChIInChI=1S/C13H11F3N2/c1-8-2-3-9(7-18-8)11-5-4-10(17)6-12(11)13(14,15)16/h2-7H,17H2,1H3
InChIKeyNLSZEBCVXVYAJT-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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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline (CID 172651572) is 4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline is Cc1ccc(-c2ccc(N)cc2C(F)(F)F)cn1.
What is the InChIKey of 4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline?
The InChIKey is NLSZEBCVXVYAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-8-2-3-9(7-18-8)11-5-4-10(17)6-12(11)13(14,15)16/h2-7H,17H2,1H3.
What are the key properties of 4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline?
4-(6-methyl-3-pyridinyl)-3-(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 4-(6-methyl-3-pyridinyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 172651572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).