[8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine

C15H9Cl3F3N3 — CID 39199214

IUPAC[8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)nc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C15H9Cl3F3N3/c16-8-1-2-9(10(17)4-8)13-12(5-22)24-6-7(15(19,20)21)3-11(18)14(24)23-13/h1-4,6H,5,22H2
InChIKeyHNATXLPGDAYIJG-UHFFFAOYSA-N
MW394.61 g/mol
LogP5.44
Rot. Bonds2

About [8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine

[8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 39199214) has the molecular formula C15H9Cl3F3N3 and a molecular weight of 394.61 g/mol. Its IUPAC name is [8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID39199214
Molecular FormulaC15H9Cl3F3N3
Molecular Weight394.61 g/mol
Exact Mass392.98
IUPAC Name[8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)nc2c(Cl)cc(C(F)(F)F)cn12
InChIInChI=1S/C15H9Cl3F3N3/c16-8-1-2-9(10(17)4-8)13-12(5-22)24-6-7(15(19,20)21)3-11(18)14(24)23-13/h1-4,6H,5,22H2
InChIKeyHNATXLPGDAYIJG-UHFFFAOYSA-N
XLogP5.44
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.61
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199304
[2-(1,3-benzodioxol-5-yl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199604
[8-chloro-2-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199582
6-[3-(aminomethyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 39199464
8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 51360733
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10237877
6-chloro-3-(chloromethyl)-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine
CID 82029741
2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82030290
6,8-dichloro-2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 114860102
2-(2,4-dichlorophenyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 118836217
3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 3720934
2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene
CID 134619859

Frequently Asked Questions

What is the IUPAC name of [8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 39199214) is [8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine is NCc1c(-c2ccc(Cl)cc2Cl)nc2c(Cl)cc(C(F)(F)F)cn12.
What is the InChIKey of [8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is HNATXLPGDAYIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3F3N3/c16-8-1-2-9(10(17)4-8)13-12(5-22)24-6-7(15(19,20)21)3-11(18)14(24)23-13/h1-4,6H,5,22H2.
What are the key properties of [8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
[8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 394.61 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 39199214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).