6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine

C11H12ClN3O — CID 121228968

IUPAC6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
SMILESClc1cnc2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C11H12ClN3O/c12-8-5-10-9(13-6-8)7-14-15(10)11-3-1-2-4-16-11/h5-7,11H,1-4H2
InChIKeyPZATUMXDZHPGFD-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.78
Rot. Bonds1

About 6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine

6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine (PubChem CID 121228968) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
PubChem CID121228968
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
SMILESClc1cnc2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C11H12ClN3O/c12-8-5-10-9(13-6-8)7-14-15(10)11-3-1-2-4-16-11/h5-7,11H,1-4H2
InChIKeyPZATUMXDZHPGFD-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine (CID 121228968) is 6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine is Clc1cnc2cnn(C3CCCCO3)c2c1.
What is the InChIKey of 6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine?
The InChIKey is PZATUMXDZHPGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-8-5-10-9(13-6-8)7-14-15(10)11-3-1-2-4-16-11/h5-7,11H,1-4H2.
What are the key properties of 6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine?
6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine has a molecular weight of 237.69 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 121228968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).