N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide

C9H5BrF3N3O — CID 12065953

IUPACN-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cn2cc(Br)ccc2n1)C(F)(F)F
InChIInChI=1S/C9H5BrF3N3O/c10-5-1-2-7-14-6(4-16(7)3-5)15-8(17)9(11,12)13/h1-4H,(H,15,17)
InChIKeyBUYPVRDWQVLXDL-UHFFFAOYSA-N
MW308.06 g/mol
LogP2.60
Rot. Bonds1

About N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide

N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 12065953) has the molecular formula C9H5BrF3N3O and a molecular weight of 308.06 g/mol. Its IUPAC name is N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide
PubChem CID12065953
Molecular FormulaC9H5BrF3N3O
Molecular Weight308.06 g/mol
Exact Mass306.96
IUPAC NameN-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cn2cc(Br)ccc2n1)C(F)(F)F
InChIInChI=1S/C9H5BrF3N3O/c10-5-1-2-7-14-6(4-16(7)3-5)15-8(17)9(11,12)13/h1-4H,(H,15,17)
InChIKeyBUYPVRDWQVLXDL-UHFFFAOYSA-N
XLogP2.60
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.06
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide (CID 12065953) is N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide is O=C(Nc1cn2cc(Br)ccc2n1)C(F)(F)F.
What is the InChIKey of N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is BUYPVRDWQVLXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF3N3O/c10-5-1-2-7-14-6(4-16(7)3-5)15-8(17)9(11,12)13/h1-4H,(H,15,17).
What are the key properties of N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide?
N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 308.06 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 12065953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).