3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine

C13H9BrClF3N2 — CID 114837222

IUPAC3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCc1ccc(C(F)(F)F)cc1Nc1ncc(Cl)cc1Br
InChIInChI=1S/C13H9BrClF3N2/c1-7-2-3-8(13(16,17)18)4-11(7)20-12-10(14)5-9(15)6-19-12/h2-6H,1H3,(H,19,20)
InChIKeyWWLZZVWUSZOHHX-UHFFFAOYSA-N
MW365.58 g/mol
LogP5.57
Rot. Bonds2

About 3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine

3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 114837222) has the molecular formula C13H9BrClF3N2 and a molecular weight of 365.58 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID114837222
Molecular FormulaC13H9BrClF3N2
Molecular Weight365.58 g/mol
Exact Mass363.96
IUPAC Name3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCc1ccc(C(F)(F)F)cc1Nc1ncc(Cl)cc1Br
InChIInChI=1S/C13H9BrClF3N2/c1-7-2-3-8(13(16,17)18)4-11(7)20-12-10(14)5-9(15)6-19-12/h2-6H,1H3,(H,19,20)
InChIKeyWWLZZVWUSZOHHX-UHFFFAOYSA-N
XLogP5.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.58
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 66481516
3-bromo-5-chloro-N-(4-methyl-3-pyridinyl)pyridin-2-amine
CID 114837095
3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine
CID 107638006
3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 114836581
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine
CID 79727796
5-bromo-4-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridine-3,4-diamine
CID 103518284
5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile
CID 84605251
3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 114836594
3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine
CID 106876475
4-N-(5-chloro-2-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22547329
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
4-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115469106

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine (CID 114837222) is 3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine is Cc1ccc(C(F)(F)F)cc1Nc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is WWLZZVWUSZOHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF3N2/c1-7-2-3-8(13(16,17)18)4-11(7)20-12-10(14)5-9(15)6-19-12/h2-6H,1H3,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine?
3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 365.58 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 114837222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).