6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine

C13H10ClF3N2 — CID 63588805

IUPAC6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCc1ccc(Nc2cccc(Cl)n2)cc1C(F)(F)F
InChIInChI=1S/C13H10ClF3N2/c1-8-5-6-9(7-10(8)13(15,16)17)18-12-4-2-3-11(14)19-12/h2-7H,1H3,(H,18,19)
InChIKeyWTGASIFDLCWAJB-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.81
Rot. Bonds2

About 6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine

6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 63588805) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID63588805
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCc1ccc(Nc2cccc(Cl)n2)cc1C(F)(F)F
InChIInChI=1S/C13H10ClF3N2/c1-8-5-6-9(7-10(8)13(15,16)17)18-12-4-2-3-11(14)19-12/h2-7H,1H3,(H,18,19)
InChIKeyWTGASIFDLCWAJB-UHFFFAOYSA-N
XLogP4.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.81
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

2-N-methyl-6-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 80812662
6-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 63585961
4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 65485739
6-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 66477569
6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80791134
6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715335
N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine
CID 107336659
6-hydrazinyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 80903825
6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
CID 80791340
6-chloro-N-(4-fluorophenyl)pyridin-2-amine;2,6-dichloropyridine
CID 160664212
N-chloro-4-methyl-3-(trifluoromethyl)aniline
CID 162568160
6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729328

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine (CID 63588805) is 6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine is Cc1ccc(Nc2cccc(Cl)n2)cc1C(F)(F)F.
What is the InChIKey of 6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is WTGASIFDLCWAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c1-8-5-6-9(7-10(8)13(15,16)17)18-12-4-2-3-11(14)19-12/h2-7H,1H3,(H,18,19).
What are the key properties of 6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine?
6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 286.68 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 63588805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).