1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine

C12H6ClF2N3 — CID 67377976

IUPAC1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine
SMILESFc1ccc2c(cnn2-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H6ClF2N3/c13-8-5-7(1-2-9(8)14)18-11-3-4-12(15)17-10(11)6-16-18/h1-6H
InChIKeyVIOMBWBHJUGACD-UHFFFAOYSA-N
MW265.65 g/mol
LogP3.35
Rot. Bonds1

About 1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine

1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine (PubChem CID 67377976) has the molecular formula C12H6ClF2N3 and a molecular weight of 265.65 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine
PubChem CID67377976
Molecular FormulaC12H6ClF2N3
Molecular Weight265.65 g/mol
Exact Mass265.02
IUPAC Name1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine
SMILESFc1ccc2c(cnn2-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H6ClF2N3/c13-8-5-7(1-2-9(8)14)18-11-3-4-12(15)17-10(11)6-16-18/h1-6H
InChIKeyVIOMBWBHJUGACD-UHFFFAOYSA-N
XLogP3.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine (CID 67377976) is 1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine is Fc1ccc2c(cnn2-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine?
The InChIKey is VIOMBWBHJUGACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3/c13-8-5-7(1-2-9(8)14)18-11-3-4-12(15)17-10(11)6-16-18/h1-6H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine?
1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine has a molecular weight of 265.65 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-5-fluoropyrazolo[4,5-b]pyridine is sourced from PubChem (CID 67377976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).