6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine

C7H5ClIN3O — CID 151706470

IUPAC6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(Cl)nc2n[nH]c(I)c12
InChIInChI=1S/C7H5ClIN3O/c1-13-3-2-4(8)10-7-5(3)6(9)11-12-7/h2H,1H3,(H,10,11,12)
InChIKeyRFRLXWBLSMHFBJ-UHFFFAOYSA-N
MW309.49 g/mol
LogP2.22
Rot. Bonds1

About 6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine

6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine (PubChem CID 151706470) has the molecular formula C7H5ClIN3O and a molecular weight of 309.49 g/mol. Its IUPAC name is 6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine
PubChem CID151706470
Molecular FormulaC7H5ClIN3O
Molecular Weight309.49 g/mol
Exact Mass308.92
IUPAC Name6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cc(Cl)nc2n[nH]c(I)c12
InChIInChI=1S/C7H5ClIN3O/c1-13-3-2-4(8)10-7-5(3)6(9)11-12-7/h2H,1H3,(H,10,11,12)
InChIKeyRFRLXWBLSMHFBJ-UHFFFAOYSA-N
XLogP2.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine (CID 151706470) is 6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine is COc1cc(Cl)nc2n[nH]c(I)c12.
What is the InChIKey of 6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is RFRLXWBLSMHFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClIN3O/c1-13-3-2-4(8)10-7-5(3)6(9)11-12-7/h2H,1H3,(H,10,11,12).
What are the key properties of 6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine?
6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 309.49 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-iodo-4-methoxy-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 151706470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).