3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine

C13H9BrClF3N2 — CID 106876475

IUPAC3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(Nc2cc(C(F)(F)F)ccc2Cl)c1Br
InChIInChI=1S/C13H9BrClF3N2/c1-7-4-5-19-12(11(7)14)20-10-6-8(13(16,17)18)2-3-9(10)15/h2-6H,1H3,(H,19,20)
InChIKeyLHUPTEFTXRRQKH-UHFFFAOYSA-N
MW365.58 g/mol
LogP5.57
Rot. Bonds2

About 3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine

3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine (PubChem CID 106876475) has the molecular formula C13H9BrClF3N2 and a molecular weight of 365.58 g/mol. Its IUPAC name is 3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine
PubChem CID106876475
Molecular FormulaC13H9BrClF3N2
Molecular Weight365.58 g/mol
Exact Mass363.96
IUPAC Name3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(Nc2cc(C(F)(F)F)ccc2Cl)c1Br
InChIInChI=1S/C13H9BrClF3N2/c1-7-4-5-19-12(11(7)14)20-10-6-8(13(16,17)18)2-3-9(10)15/h2-6H,1H3,(H,19,20)
InChIKeyLHUPTEFTXRRQKH-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine (CID 106876475) is 3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine is Cc1ccnc(Nc2cc(C(F)(F)F)ccc2Cl)c1Br.
What is the InChIKey of 3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine?
The InChIKey is LHUPTEFTXRRQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF3N2/c1-7-4-5-19-12(11(7)14)20-10-6-8(13(16,17)18)2-3-9(10)15/h2-6H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine?
3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-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-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 106876475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).