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

C9H8ClFN4 — CID 170576762

IUPAC6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine
SMILESFC1CN(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C9H8ClFN4/c10-8-1-7-6(2-12-8)9(14-13-7)15-3-5(11)4-15/h1-2,5H,3-4H2,(H,13,14)
InChIKeyOTZYFBBOFYFIRJ-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.77
Rot. Bonds1

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

6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 170576762) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is 6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine
PubChem CID170576762
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC Name6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine
SMILESFC1CN(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C9H8ClFN4/c10-8-1-7-6(2-12-8)9(14-13-7)15-3-5(11)4-15/h1-2,5H,3-4H2,(H,13,14)
InChIKeyOTZYFBBOFYFIRJ-UHFFFAOYSA-N
XLogP1.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.77
H-Bond Donors ≤ 51
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 6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine (CID 170576762) is 6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine is FC1CN(c2n[nH]c3cc(Cl)ncc23)C1.
What is the InChIKey of 6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is OTZYFBBOFYFIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c10-8-1-7-6(2-12-8)9(14-13-7)15-3-5(11)4-15/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of 6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine?
6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 226.64 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170576762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).