5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine

C7H6ClN3O — CID 154728777

IUPAC5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine
SMILESCOc1cc2[nH]ncc2nc1Cl
InChIInChI=1S/C7H6ClN3O/c1-12-6-2-4-5(3-9-11-4)10-7(6)8/h2-3H,1H3,(H,9,11)
InChIKeyMBXNMFDREPLBEX-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.62
Rot. Bonds1

About 5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine

5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine (PubChem CID 154728777) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine
PubChem CID154728777
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine
SMILESCOc1cc2[nH]ncc2nc1Cl
InChIInChI=1S/C7H6ClN3O/c1-12-6-2-4-5(3-9-11-4)10-7(6)8/h2-3H,1H3,(H,9,11)
InChIKeyMBXNMFDREPLBEX-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

5-methoxy-1H-pyrazolo[4,3-b]pyridine
CID 52987829
7-Chloro-4-methoxypyrazolo[1,5-a]pyridine
CID 130065834
tert-Butyl 5-chloro-6-methoxy-1H-pyrazolo(4,3-b)pyridine-1-carboxylate
CID 138962074
7-Methoxy-1H-pyrazolo[4,3-b]pyridine
CID 73554273
5-Chloro-6-(difluoromethoxy)-1-methylpyrazolo[4,3-b]pyridine
CID 156267942
6-(Difluoromethoxy)-1-methylpyrazolo[4,5-b]pyridine
CID 156267943
7-Chloro-6-(difluoromethoxy)pyrazolo[1,5-a]pyridine
CID 176055804
5-Chloro-6-(difluoromethoxy)-3-fluoro-1-methylpyrazolo[4,3-b]pyridine
CID 178139783
5-Chloro-3-fluoro-6-methoxy-1-methylpyrazolo[4,3-b]pyridine
CID 178265752
6-(Trifluoromethoxy)-1H-pyrazolo[4,3-B]pyridine
CID 138110001
3-Iodo-6-(trifluoromethoxy)-1H-pyrazolo[4,3-B]pyridine
CID 138110004
N-(3-chloro-4-fluorophenyl)-4-methoxypyrazolo[1,5-a]pyridin-6-amine
CID 167758225

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine (CID 154728777) is 5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine is COc1cc2[nH]ncc2nc1Cl.
What is the InChIKey of 5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is MBXNMFDREPLBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c1-12-6-2-4-5(3-9-11-4)10-7(6)8/h2-3H,1H3,(H,9,11).
What are the key properties of 5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine?
5-chloro-6-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-6-methoxy-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 154728777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).