[2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine

C16H11ClF3N3O2 — CID 39199604

IUPAC[2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(-c2ccc3c(c2)OCO3)nc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C16H11ClF3N3O2/c17-10-4-9(16(18,19)20)6-23-11(5-21)14(22-15(10)23)8-1-2-12-13(3-8)25-7-24-12/h1-4,6H,5,7,21H2
InChIKeyGLEAHMBJTMTLIQ-UHFFFAOYSA-N
MW369.73 g/mol
LogP3.86
Rot. Bonds2

About [2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine

[2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 39199604) has the molecular formula C16H11ClF3N3O2 and a molecular weight of 369.73 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID39199604
Molecular FormulaC16H11ClF3N3O2
Molecular Weight369.73 g/mol
Exact Mass369.05
IUPAC Name[2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(-c2ccc3c(c2)OCO3)nc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C16H11ClF3N3O2/c17-10-4-9(16(18,19)20)6-23-11(5-21)14(22-15(10)23)8-1-2-12-13(3-8)25-7-24-12/h1-4,6H,5,7,21H2
InChIKeyGLEAHMBJTMTLIQ-UHFFFAOYSA-N
XLogP3.86
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199304
[8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199582
8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 51360733
3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 3720934
2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134123
2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 39134449
4-[8-chloro-3-(thiophen-3-ylmethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 53299753
6,8-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 110311943
2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine
CID 75412206
5-(1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5298146
[5-[3-(aminomethyl)-4-(1,3-benzodioxol-5-yl)phenyl]-2-(1,3-benzodioxol-5-yl)phenyl]methanamine
CID 154597141
2-[2-(3-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 90159283

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 39199604) is [2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine is NCc1c(-c2ccc3c(c2)OCO3)nc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of [2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is GLEAHMBJTMTLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2/c17-10-4-9(16(18,19)20)6-23-11(5-21)14(22-15(10)23)8-1-2-12-13(3-8)25-7-24-12/h1-4,6H,5,7,21H2.
What are the key properties of [2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 369.73 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 39199604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).