5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine

C11H12ClN3O — CID 121416628

IUPAC5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine
SMILESClc1cc2cnn(C3CCOCC3)c2cn1
InChIInChI=1S/C11H12ClN3O/c12-11-5-8-6-14-15(10(8)7-13-11)9-1-3-16-4-2-9/h5-7,9H,1-4H2
InChIKeyJNTNQXSIJRYQJG-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.44
Rot. Bonds1

About 5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine

5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine (PubChem CID 121416628) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine
PubChem CID121416628
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine
SMILESClc1cc2cnn(C3CCOCC3)c2cn1
InChIInChI=1S/C11H12ClN3O/c12-11-5-8-6-14-15(10(8)7-13-11)9-1-3-16-4-2-9/h5-7,9H,1-4H2
InChIKeyJNTNQXSIJRYQJG-UHFFFAOYSA-N
XLogP2.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.44
H-Bond Donors ≤ 50
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-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine (CID 121416628) is 5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine is Clc1cc2cnn(C3CCOCC3)c2cn1.
What is the InChIKey of 5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine?
The InChIKey is JNTNQXSIJRYQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-11-5-8-6-14-15(10(8)7-13-11)9-1-3-16-4-2-9/h5-7,9H,1-4H2.
What are the key properties of 5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine?
5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine has a molecular weight of 237.69 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 121416628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).