3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine

C14H8Cl2F3N3 — CID 71648739

IUPAC3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2cccnc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2F3N3/c15-9-4-3-8(6-10(9)16)7-22-12-11(2-1-5-20-12)21-13(22)14(17,18)19/h1-6H,7H2
InChIKeyWRJXJHIRCZQDRU-UHFFFAOYSA-N
MW346.14 g/mol
LogP4.81
Rot. Bonds2

About 3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine

3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 71648739) has the molecular formula C14H8Cl2F3N3 and a molecular weight of 346.14 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID71648739
Molecular FormulaC14H8Cl2F3N3
Molecular Weight346.14 g/mol
Exact Mass345.00
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2cccnc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2F3N3/c15-9-4-3-8(6-10(9)16)7-22-12-11(2-1-5-20-12)21-13(22)14(17,18)19/h1-6H,7H2
InChIKeyWRJXJHIRCZQDRU-UHFFFAOYSA-N
XLogP4.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 71648739) is 3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)(F)c1nc2cccnc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is WRJXJHIRCZQDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3N3/c15-9-4-3-8(6-10(9)16)7-22-12-11(2-1-5-20-12)21-13(22)14(17,18)19/h1-6H,7H2.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 346.14 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 71648739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).