5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine

C14H7ClF3N5 — CID 122654539

IUPAC5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2ccc(Cl)nc2n1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H7ClF3N5/c15-11-4-3-10-12(21-11)23(13(20-10)14(16,17)18)8-1-2-9-7(5-8)6-19-22-9/h1-6H,(H,19,22)
InChIKeyYZCLVNVLVKBPAF-UHFFFAOYSA-N
MW337.69 g/mol
LogP3.97
Rot. Bonds1

About 5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine

5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654539) has the molecular formula C14H7ClF3N5 and a molecular weight of 337.69 g/mol. Its IUPAC name is 5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654539
Molecular FormulaC14H7ClF3N5
Molecular Weight337.69 g/mol
Exact Mass337.03
IUPAC Name5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2ccc(Cl)nc2n1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H7ClF3N5/c15-11-4-3-10-12(21-11)23(13(20-10)14(16,17)18)8-1-2-9-7(5-8)6-19-22-9/h1-6H,(H,19,22)
InChIKeyYZCLVNVLVKBPAF-UHFFFAOYSA-N
XLogP3.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.69
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654539) is 5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)(F)c1nc2ccc(Cl)nc2n1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is YZCLVNVLVKBPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N5/c15-11-4-3-10-12(21-11)23(13(20-10)14(16,17)18)8-1-2-9-7(5-8)6-19-22-9/h1-6H,(H,19,22).
What are the key properties of 5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 337.69 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).