4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine

C7H5Cl2N3 — CID 58083235

IUPAC4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine
SMILESCn1ncc2c(Cl)cc(Cl)nc21
InChIInChI=1S/C7H5Cl2N3/c1-12-7-4(3-10-12)5(8)2-6(9)11-7/h2-3H,1H3
InChIKeyFNIWVSATLMFMHJ-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.28
Rot. Bonds

About 4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine

4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine (PubChem CID 58083235) has the molecular formula C7H5Cl2N3 and a molecular weight of 202.04 g/mol. Its IUPAC name is 4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine
PubChem CID58083235
Molecular FormulaC7H5Cl2N3
Molecular Weight202.04 g/mol
Exact Mass200.99
IUPAC Name4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine
SMILESCn1ncc2c(Cl)cc(Cl)nc21
InChIInChI=1S/C7H5Cl2N3/c1-12-7-4(3-10-12)5(8)2-6(9)11-7/h2-3H,1H3
InChIKeyFNIWVSATLMFMHJ-UHFFFAOYSA-N
XLogP2.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine (CID 58083235) is 4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine is Cn1ncc2c(Cl)cc(Cl)nc21.
What is the InChIKey of 4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine?
The InChIKey is FNIWVSATLMFMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3/c1-12-7-4(3-10-12)5(8)2-6(9)11-7/h2-3H,1H3.
What are the key properties of 4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine?
4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine has a molecular weight of 202.04 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 58083235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).