4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine

C12H7BrClN3 — CID 66727735

IUPAC4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine
SMILESClc1ccc(-n2ncc3c(Br)cncc32)cc1
InChIInChI=1S/C12H7BrClN3/c13-11-6-15-7-12-10(11)5-16-17(12)9-3-1-8(14)2-4-9/h1-7H
InChIKeyNSKTZQHBXJOARU-UHFFFAOYSA-N
MW308.57 g/mol
LogP3.84
Rot. Bonds1

About 4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine

4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine (PubChem CID 66727735) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine
PubChem CID66727735
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine
SMILESClc1ccc(-n2ncc3c(Br)cncc32)cc1
InChIInChI=1S/C12H7BrClN3/c13-11-6-15-7-12-10(11)5-16-17(12)9-3-1-8(14)2-4-9/h1-7H
InChIKeyNSKTZQHBXJOARU-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine (CID 66727735) is 4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine is Clc1ccc(-n2ncc3c(Br)cncc32)cc1.
What is the InChIKey of 4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine?
The InChIKey is NSKTZQHBXJOARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-11-6-15-7-12-10(11)5-16-17(12)9-3-1-8(14)2-4-9/h1-7H.
What are the key properties of 4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine?
4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine has a molecular weight of 308.57 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-chlorophenyl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 66727735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).