3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine

C12H13BrF3N3 — CID 107084185

IUPAC3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine
SMILESCN(CCC(F)(F)F)c1nc2ccccn2c1CBr
InChIInChI=1S/C12H13BrF3N3/c1-18(7-5-12(14,15)16)11-9(8-13)19-6-3-2-4-10(19)17-11/h2-4,6H,5,7-8H2,1H3
InChIKeyOASRSZBWZGTEGZ-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.62
Rot. Bonds4

About 3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine

3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine (PubChem CID 107084185) has the molecular formula C12H13BrF3N3 and a molecular weight of 336.16 g/mol. Its IUPAC name is 3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine
PubChem CID107084185
Molecular FormulaC12H13BrF3N3
Molecular Weight336.16 g/mol
Exact Mass335.02
IUPAC Name3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine
SMILESCN(CCC(F)(F)F)c1nc2ccccn2c1CBr
InChIInChI=1S/C12H13BrF3N3/c1-18(7-5-12(14,15)16)11-9(8-13)19-6-3-2-4-10(19)17-11/h2-4,6H,5,7-8H2,1H3
InChIKeyOASRSZBWZGTEGZ-UHFFFAOYSA-N
XLogP3.62
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine
CID 107080119
3-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]propanenitrile
CID 107079501
2-[[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]ethanol
CID 60961309
3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 107080940
3-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 107083717
3-(chloromethyl)-N,N-dimethylimidazo[1,2-a]pyridin-2-amine
CID 43478139
3-(bromomethyl)-N-(2-methoxyethyl)-N-propan-2-ylimidazo[1,2-a]pyridin-2-amine
CID 107084898
4-[[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]benzonitrile
CID 107083029
N'-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 55236385
[2-[butyl(methyl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478072
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)imidazo[1,2-a]pyridin-2-amine
CID 107081480
3-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]imidazo[1,2-a]pyridin-2-amine
CID 63865536

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine (CID 107084185) is 3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine is CN(CCC(F)(F)F)c1nc2ccccn2c1CBr.
What is the InChIKey of 3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine?
The InChIKey is OASRSZBWZGTEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N3/c1-18(7-5-12(14,15)16)11-9(8-13)19-6-3-2-4-10(19)17-11/h2-4,6H,5,7-8H2,1H3.
What are the key properties of 3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine?
3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine has a molecular weight of 336.16 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 107084185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).