5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine

C7H6ClN3O — CID 123174040

IUPAC5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine
SMILESCOc1n[nH]c2ccc(Cl)nc12
InChIInChI=1S/C7H6ClN3O/c1-12-7-6-4(10-11-7)2-3-5(8)9-6/h2-3H,1H3,(H,10,11)
InChIKeyBZGHINOAUVWKJX-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.62
Rot. Bonds1

About 5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine

5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine (PubChem CID 123174040) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine
PubChem CID123174040
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine
SMILESCOc1n[nH]c2ccc(Cl)nc12
InChIInChI=1S/C7H6ClN3O/c1-12-7-6-4(10-11-7)2-3-5(8)9-6/h2-3H,1H3,(H,10,11)
InChIKeyBZGHINOAUVWKJX-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.62
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

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6-chloro-2-methoxy-3-propan-2-ylpyridine
CID 130325202
5-chloro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine
CID 87626779
8-bromo-2-chloro-6-methoxyquinoline
CID 169499704
3-methoxy-5-(trifluoromethoxy)-1H-indazole
CID 174707060
4-(6-chloro-2-methoxy-3-pyridinyl)pyridazine
CID 177188668
5,7-difluoro-3-methoxy-1H-indazole
CID 175928722
2,3-dimethoxy-7,10-dihydropyrazino[2,3-f]quinoxaline-8,9-dione
CID 72723728
5,6,11,12,17,18,23,24-octamethoxy-25,26,27,28-tetrazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(25),2,4,6,8,10(27),11,13,15,17,19,21,23-tridecaene
CID 122229905
5-chloro-2-methoxy-4-methyl-1H-benzimidazole
CID 131002916

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine (CID 123174040) is 5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine is COc1n[nH]c2ccc(Cl)nc12.
What is the InChIKey of 5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is BZGHINOAUVWKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c1-12-7-6-4(10-11-7)2-3-5(8)9-6/h2-3H,1H3,(H,10,11).
What are the key properties of 5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine?
5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 183.60 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 123174040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).