6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine

C9H8ClN3 — CID 169477478

IUPAC6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine
SMILESClCC=Cc1cnc2cn[nH]c2c1
InChIInChI=1S/C9H8ClN3/c10-3-1-2-7-4-8-9(11-5-7)6-12-13-8/h1-2,4-6H,3H2,(H,12,13)
InChIKeySLNPMGMVFJSIGD-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.21
Rot. Bonds2

About 6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine

6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine (PubChem CID 169477478) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine
PubChem CID169477478
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine
SMILESClCC=Cc1cnc2cn[nH]c2c1
InChIInChI=1S/C9H8ClN3/c10-3-1-2-7-4-8-9(11-5-7)6-12-13-8/h1-2,4-6H,3H2,(H,12,13)
InChIKeySLNPMGMVFJSIGD-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine (CID 169477478) is 6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine is ClCC=Cc1cnc2cn[nH]c2c1.
What is the InChIKey of 6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine?
The InChIKey is SLNPMGMVFJSIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-3-1-2-7-4-8-9(11-5-7)6-12-13-8/h1-2,4-6H,3H2,(H,12,13).
What are the key properties of 6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine?
6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine has a molecular weight of 193.64 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 169477478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).