6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine

C14H12ClF3N2 — CID 102715335

IUPAC6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(Nc2cc(C(F)(F)F)cc(Cl)n2)cc1C
InChIInChI=1S/C14H12ClF3N2/c1-8-3-4-11(5-9(8)2)19-13-7-10(14(16,17)18)6-12(15)20-13/h3-7H,1-2H3,(H,19,20)
InChIKeyYAXQQBWNMRCVEB-UHFFFAOYSA-N
MW300.71 g/mol
LogP5.11
Rot. Bonds2

About 6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715335) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715335
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(Nc2cc(C(F)(F)F)cc(Cl)n2)cc1C
InChIInChI=1S/C14H12ClF3N2/c1-8-3-4-11(5-9(8)2)19-13-7-10(14(16,17)18)6-12(15)20-13/h3-7H,1-2H3,(H,19,20)
InChIKeyYAXQQBWNMRCVEB-UHFFFAOYSA-N
XLogP5.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.71
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-chlorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 107615011
6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
6-chloro-N-(2,6-dichlorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715985
6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63588805
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720734
6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715497
6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716041
6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359
6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 87998594
6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107617824
6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715826
2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
CID 43343601

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102715335) is 6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine is Cc1ccc(Nc2cc(C(F)(F)F)cc(Cl)n2)cc1C.
What is the InChIKey of 6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YAXQQBWNMRCVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c1-8-3-4-11(5-9(8)2)19-13-7-10(14(16,17)18)6-12(15)20-13/h3-7H,1-2H3,(H,19,20).
What are the key properties of 6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 300.71 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).