6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine

C12H7ClFN3 — CID 76847165

IUPAC6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2n[nH]c3cc(Cl)ncc23)cc1
InChIInChI=1S/C12H7ClFN3/c13-11-5-10-9(6-15-11)12(17-16-10)7-1-3-8(14)4-2-7/h1-6H,(H,16,17)
InChIKeyXUBRBLAZUNEINL-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.42
Rot. Bonds1

About 6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine

6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 76847165) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine
PubChem CID76847165
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine
SMILESFc1ccc(-c2n[nH]c3cc(Cl)ncc23)cc1
InChIInChI=1S/C12H7ClFN3/c13-11-5-10-9(6-15-11)12(17-16-10)7-1-3-8(14)4-2-7/h1-6H,(H,16,17)
InChIKeyXUBRBLAZUNEINL-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine (CID 76847165) is 6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine is Fc1ccc(-c2n[nH]c3cc(Cl)ncc23)cc1.
What is the InChIKey of 6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is XUBRBLAZUNEINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-11-5-10-9(6-15-11)12(17-16-10)7-1-3-8(14)4-2-7/h1-6H,(H,16,17).
What are the key properties of 6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine?
6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 247.66 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 76847165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).