4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine

C11H12ClN3O — CID 129373246

IUPAC4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
SMILESClc1nccc2c1cnn2[C@H]1CCCCO1
InChIInChI=1S/C11H12ClN3O/c12-11-8-7-14-15(9(8)4-5-13-11)10-3-1-2-6-16-10/h4-5,7,10H,1-3,6H2/t10-/m1/s1
InChIKeyUANLOHJWPCEBNP-SNVBAGLBSA-N
MW237.69 g/mol
LogP2.78
Rot. Bonds1

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

4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine (PubChem CID 129373246) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
PubChem CID129373246
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
SMILESClc1nccc2c1cnn2[C@H]1CCCCO1
InChIInChI=1S/C11H12ClN3O/c12-11-8-7-14-15(9(8)4-5-13-11)10-3-1-2-6-16-10/h4-5,7,10H,1-3,6H2/t10-/m1/s1
InChIKeyUANLOHJWPCEBNP-SNVBAGLBSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 131697629
4-(3-methyl-4-methylsulfonylphenyl)-1-(oxan-2-yl)pyrazolo[4,5-c]pyridine
CID 167528176
6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 121228968
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
CID 23134542
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
4-ethynyl-1-(oxan-2-yl)indazole
CID 155167654
3-chloro-1-(oxan-2-yl)indazole
CID 66909910
6-chloro-4-ethynyl-1-(oxan-2-yl)indazole
CID 134298715
4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 171567702

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine?
The IUPAC name of 4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine (CID 129373246) is 4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine?
The canonical SMILES for 4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine is Clc1nccc2c1cnn2[C@H]1CCCCO1.
What is the InChIKey of 4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine?
The InChIKey is UANLOHJWPCEBNP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-11-8-7-14-15(9(8)4-5-13-11)10-3-1-2-6-16-10/h4-5,7,10H,1-3,6H2/t10-/m1/s1.
What are the key properties of 4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine?
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]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 4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 129373246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).