5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine

C11H10BrF3N4 — CID 138018976

IUPAC5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCc1cnc(CNc2ccc(Br)c(C(F)(F)F)n2)[nH]1
InChIInChI=1S/C11H10BrF3N4/c1-6-4-16-9(18-6)5-17-8-3-2-7(12)10(19-8)11(13,14)15/h2-4H,5H2,1H3,(H,16,18)(H,17,19)
InChIKeyXGNDYPYFVHQUDT-UHFFFAOYSA-N
MW335.13 g/mol
LogP3.51
Rot. Bonds3

About 5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine

5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 138018976) has the molecular formula C11H10BrF3N4 and a molecular weight of 335.13 g/mol. Its IUPAC name is 5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID138018976
Molecular FormulaC11H10BrF3N4
Molecular Weight335.13 g/mol
Exact Mass334.00
IUPAC Name5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCc1cnc(CNc2ccc(Br)c(C(F)(F)F)n2)[nH]1
InChIInChI=1S/C11H10BrF3N4/c1-6-4-16-9(18-6)5-17-8-3-2-7(12)10(19-8)11(13,14)15/h2-4H,5H2,1H3,(H,16,18)(H,17,19)
InChIKeyXGNDYPYFVHQUDT-UHFFFAOYSA-N
XLogP3.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine (CID 138018976) is 5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine is Cc1cnc(CNc2ccc(Br)c(C(F)(F)F)n2)[nH]1.
What is the InChIKey of 5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XGNDYPYFVHQUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N4/c1-6-4-16-9(18-6)5-17-8-3-2-7(12)10(19-8)11(13,14)15/h2-4H,5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 335.13 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 138018976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).