5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C13H10BrF3N2 — CID 84609052

IUPAC5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10BrF3N2/c1-8-6-10(14)7-18-12(8)19-11-4-2-9(3-5-11)13(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyISIAATIKUBVJOX-UHFFFAOYSA-N
MW331.14 g/mol
LogP4.91
Rot. Bonds2

About 5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 84609052) has the molecular formula C13H10BrF3N2 and a molecular weight of 331.14 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID84609052
Molecular FormulaC13H10BrF3N2
Molecular Weight331.14 g/mol
Exact Mass330.00
IUPAC Name5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCc1cc(Br)cnc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10BrF3N2/c1-8-6-10(14)7-18-12(8)19-11-4-2-9(3-5-11)13(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyISIAATIKUBVJOX-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 84609052) is 5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is Cc1cc(Br)cnc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is ISIAATIKUBVJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2/c1-8-6-10(14)7-18-12(8)19-11-4-2-9(3-5-11)13(15,16)17/h2-7H,1H3,(H,18,19).
What are the key properties of 5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 331.14 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 84609052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).