4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine

C13H8BrCl2N3 — CID 86697074

IUPAC4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine
SMILESCc1cnc(Br)c2cn(-c3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C13H8BrCl2N3/c1-7-5-17-13(14)8-6-19(18-11(7)8)12-9(15)3-2-4-10(12)16/h2-6H,1H3
InChIKeyUSKUDONJMAKYBF-UHFFFAOYSA-N
MW357.04 g/mol
LogP4.80
Rot. Bonds1

About 4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine

4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine (PubChem CID 86697074) has the molecular formula C13H8BrCl2N3 and a molecular weight of 357.04 g/mol. Its IUPAC name is 4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine
PubChem CID86697074
Molecular FormulaC13H8BrCl2N3
Molecular Weight357.04 g/mol
Exact Mass354.93
IUPAC Name4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine
SMILESCc1cnc(Br)c2cn(-c3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C13H8BrCl2N3/c1-7-5-17-13(14)8-6-19(18-11(7)8)12-9(15)3-2-4-10(12)16/h2-6H,1H3
InChIKeyUSKUDONJMAKYBF-UHFFFAOYSA-N
XLogP4.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.04
LogP ≤ 54.80
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-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine?
The IUPAC name of 4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine (CID 86697074) is 4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine is Cc1cnc(Br)c2cn(-c3c(Cl)cccc3Cl)nc12.
What is the InChIKey of 4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine?
The InChIKey is USKUDONJMAKYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2N3/c1-7-5-17-13(14)8-6-19(18-11(7)8)12-9(15)3-2-4-10(12)16/h2-6H,1H3.
What are the key properties of 4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine?
4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine has a molecular weight of 357.04 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,6-dichlorophenyl)-7-methylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 86697074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).