3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C17H9ClF3N5 — CID 89027659

IUPAC3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc2c(c1)nc(-c1ccccn1)n2-c1ccc(Cl)nc1
InChIInChI=1S/C17H9ClF3N5/c18-14-5-4-11(9-23-14)26-15-13(7-10(8-24-15)17(19,20)21)25-16(26)12-3-1-2-6-22-12/h1-9H
InChIKeyRUSGCMBHVBPGDW-UHFFFAOYSA-N
MW375.74 g/mol
LogP4.55
Rot. Bonds2

About 3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 89027659) has the molecular formula C17H9ClF3N5 and a molecular weight of 375.74 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID89027659
Molecular FormulaC17H9ClF3N5
Molecular Weight375.74 g/mol
Exact Mass375.05
IUPAC Name3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc2c(c1)nc(-c1ccccn1)n2-c1ccc(Cl)nc1
InChIInChI=1S/C17H9ClF3N5/c18-14-5-4-11(9-23-14)26-15-13(7-10(8-24-15)17(19,20)21)25-16(26)12-3-1-2-6-22-12/h1-9H
InChIKeyRUSGCMBHVBPGDW-UHFFFAOYSA-N
XLogP4.55
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 89027659) is 3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)(F)c1cnc2c(c1)nc(-c1ccccn1)n2-c1ccc(Cl)nc1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is RUSGCMBHVBPGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N5/c18-14-5-4-11(9-23-14)26-15-13(7-10(8-24-15)17(19,20)21)25-16(26)12-3-1-2-6-22-12/h1-9H.
What are the key properties of 3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 375.74 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 89027659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).