2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine

C17H11BrF6N4 — CID 88920212

IUPAC2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine
SMILESNc1ccc(-n2cnc(C(F)(F)F)c2)nc1C(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C17H11BrF6N4/c18-10-3-1-9(2-4-10)14(17(22,23)24)15-11(25)5-6-13(27-15)28-7-12(26-8-28)16(19,20)21/h1-8,14H,25H2
InChIKeyFEKWVIHGTHOZOS-UHFFFAOYSA-N
MW465.20 g/mol
LogP5.32
Rot. Bonds3

About 2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine

2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine (PubChem CID 88920212) has the molecular formula C17H11BrF6N4 and a molecular weight of 465.20 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine
PubChem CID88920212
Molecular FormulaC17H11BrF6N4
Molecular Weight465.20 g/mol
Exact Mass464.01
IUPAC Name2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine
SMILESNc1ccc(-n2cnc(C(F)(F)F)c2)nc1C(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C17H11BrF6N4/c18-10-3-1-9(2-4-10)14(17(22,23)24)15-11(25)5-6-13(27-15)28-7-12(26-8-28)16(19,20)21/h1-8,14H,25H2
InChIKeyFEKWVIHGTHOZOS-UHFFFAOYSA-N
XLogP5.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.20
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine?
The IUPAC name of 2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine (CID 88920212) is 2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine is Nc1ccc(-n2cnc(C(F)(F)F)c2)nc1C(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of 2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine?
The InChIKey is FEKWVIHGTHOZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF6N4/c18-10-3-1-9(2-4-10)14(17(22,23)24)15-11(25)5-6-13(27-15)28-7-12(26-8-28)16(19,20)21/h1-8,14H,25H2.
What are the key properties of 2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine?
2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine has a molecular weight of 465.20 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-amine is sourced from PubChem (CID 88920212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).