4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine

C11H12ClN3O — CID 118992789

IUPAC4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine
SMILESClc1nccc2n[nH]c(C3CCOCC3)c12
InChIInChI=1S/C11H12ClN3O/c12-11-9-8(1-4-13-11)14-15-10(9)7-2-5-16-6-3-7/h1,4,7H,2-3,5-6H2,(H,14,15)
InChIKeyIEYUZYSUHJSCRP-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.51
Rot. Bonds1

About 4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine

4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine (PubChem CID 118992789) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine
PubChem CID118992789
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine
SMILESClc1nccc2n[nH]c(C3CCOCC3)c12
InChIInChI=1S/C11H12ClN3O/c12-11-9-8(1-4-13-11)14-15-10(9)7-2-5-16-6-3-7/h1,4,7H,2-3,5-6H2,(H,14,15)
InChIKeyIEYUZYSUHJSCRP-UHFFFAOYSA-N
XLogP2.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.51
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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Related Compounds

4-chloro-3-methyl-1H-pyrazolo(4,3-c)pyridine
CID 23242575
4-chloro-1H-pyrazolo[4,3-c]pyridine
CID 46835637
6-Chloro-3-methyl-1H-pyrazolo[4,3-c]pyridine
CID 70701163
4-chloro-3-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridine
CID 76847159
4-(3-chlorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridine
CID 155566349
1-(4-Chloro-2-fluorophenyl)-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine
CID 53389750
1-(4-Chlorophenyl)-5-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine
CID 67418640
3-(4,5-dihydrofuran-3-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253443
6-Chloro-3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridine
CID 76847165
1-(4-Chlorophenyl)-4-fluoro-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine
CID 89511513
6-chloro-3-(2-fluoropropan-2-yl)-2H-pyrazolo[4,3-c]pyridine
CID 117771049
7-(6-chloro-3-pyridinyl)-5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
CID 155285035

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine (CID 118992789) is 4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine is Clc1nccc2n[nH]c(C3CCOCC3)c12.
What is the InChIKey of 4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is IEYUZYSUHJSCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-11-9-8(1-4-13-11)14-15-10(9)7-2-5-16-6-3-7/h1,4,7H,2-3,5-6H2,(H,14,15).
What are the key properties of 4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine?
4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 237.69 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118992789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).