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

C6H4ClN3 — CID 640857

IUPAC5-chloro-1H-pyrazolo[3,4-c]pyridine
SMILESClc1cc2cn[nH]c2cn1
InChIInChI=1S/C6H4ClN3/c7-6-1-4-2-9-10-5(4)3-8-6/h1-3H,(H,9,10)
InChIKeyCFNYEWNLTYSDMR-UHFFFAOYSA-N
MW153.57 g/mol
LogP1.61
Rot. Bonds

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

5-chloro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 640857) has the molecular formula C6H4ClN3 and a molecular weight of 153.57 g/mol. Its IUPAC name is 5-chloro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-chloro-1H-pyrazolo[3,4-c]pyridine
PubChem CID640857
Molecular FormulaC6H4ClN3
Molecular Weight153.57 g/mol
Exact Mass153.01
IUPAC Name5-chloro-1H-pyrazolo[3,4-c]pyridine
SMILESClc1cc2cn[nH]c2cn1
InChIInChI=1S/C6H4ClN3/c7-6-1-4-2-9-10-5(4)3-8-6/h1-3H,(H,9,10)
InChIKeyCFNYEWNLTYSDMR-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 51.61
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 5-chloro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-chloro-1H-pyrazolo[3,4-c]pyridine (CID 640857) is 5-chloro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-chloro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-chloro-1H-pyrazolo[3,4-c]pyridine is Clc1cc2cn[nH]c2cn1.
What is the InChIKey of 5-chloro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is CFNYEWNLTYSDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3/c7-6-1-4-2-9-10-5(4)3-8-6/h1-3H,(H,9,10).
What are the key properties of 5-chloro-1H-pyrazolo[3,4-c]pyridine?
5-chloro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 153.57 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 640857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).