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

C6H3ClFN3 — CID 83668457

IUPAC6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine
SMILESFc1[nH]nc2nc(Cl)ccc12
InChIInChI=1S/C6H3ClFN3/c7-4-2-1-3-5(8)10-11-6(3)9-4/h1-2H,(H,9,10,11)
InChIKeyJIGUQKCKAPCKIO-UHFFFAOYSA-N
MW171.56 g/mol
LogP1.75
Rot. Bonds

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

6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine (PubChem CID 83668457) has the molecular formula C6H3ClFN3 and a molecular weight of 171.56 g/mol. Its IUPAC name is 6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine
PubChem CID83668457
Molecular FormulaC6H3ClFN3
Molecular Weight171.56 g/mol
Exact Mass171.00
IUPAC Name6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine
SMILESFc1[nH]nc2nc(Cl)ccc12
InChIInChI=1S/C6H3ClFN3/c7-4-2-1-3-5(8)10-11-6(3)9-4/h1-2H,(H,9,10,11)
InChIKeyJIGUQKCKAPCKIO-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.56
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine (CID 83668457) is 6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine is Fc1[nH]nc2nc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is JIGUQKCKAPCKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFN3/c7-4-2-1-3-5(8)10-11-6(3)9-4/h1-2H,(H,9,10,11).
What are the key properties of 6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine?
6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 171.56 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 83668457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).