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

C14H9ClF3N3 — CID 3845192

IUPAC3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline
SMILESNc1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1
InChIInChI=1S/C14H9ClF3N3/c15-11-5-9(14(16,17)18)6-21-7-12(20-13(11)21)8-2-1-3-10(19)4-8/h1-7H,19H2
InChIKeyJNIKBIGFLOGBCG-UHFFFAOYSA-N
MW311.69 g/mol
LogP4.26
Rot. Bonds1

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

3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline (PubChem CID 3845192) has the molecular formula C14H9ClF3N3 and a molecular weight of 311.69 g/mol. Its IUPAC name is 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline.

Molecular Properties

Compound Name3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline
PubChem CID3845192
Molecular FormulaC14H9ClF3N3
Molecular Weight311.69 g/mol
Exact Mass311.04
IUPAC Name3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline
SMILESNc1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1
InChIInChI=1S/C14H9ClF3N3/c15-11-5-9(14(16,17)18)6-21-7-12(20-13(11)21)8-2-1-3-10(19)4-8/h1-7H,19H2
InChIKeyJNIKBIGFLOGBCG-UHFFFAOYSA-N
XLogP4.26
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline?
The IUPAC name of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline (CID 3845192) is 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline.
What is the SMILES notation for 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline?
The canonical SMILES for 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline is Nc1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1.
What is the InChIKey of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline?
The InChIKey is JNIKBIGFLOGBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3/c15-11-5-9(14(16,17)18)6-21-7-12(20-13(11)21)8-2-1-3-10(19)4-8/h1-7H,19H2.
What are the key properties of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline?
3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline has a molecular weight of 311.69 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]aniline is sourced from PubChem (CID 3845192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).