1-benzyl-3-chloropyrazolo[5,4-b]pyridine

C13H10ClN3 — CID 12597363

IUPAC1-benzyl-3-chloropyrazolo[5,4-b]pyridine
SMILESClc1nn(Cc2ccccc2)c2ncccc12
InChIInChI=1S/C13H10ClN3/c14-12-11-7-4-8-15-13(11)17(16-12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyMQUNBMCCKBDPQC-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.13
Rot. Bonds2

About 1-benzyl-3-chloropyrazolo[5,4-b]pyridine

1-benzyl-3-chloropyrazolo[5,4-b]pyridine (PubChem CID 12597363) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 1-benzyl-3-chloropyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-benzyl-3-chloropyrazolo[5,4-b]pyridine
PubChem CID12597363
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name1-benzyl-3-chloropyrazolo[5,4-b]pyridine
SMILESClc1nn(Cc2ccccc2)c2ncccc12
InChIInChI=1S/C13H10ClN3/c14-12-11-7-4-8-15-13(11)17(16-12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyMQUNBMCCKBDPQC-UHFFFAOYSA-N
XLogP3.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-chloropyrazolo[5,4-b]pyridine?
The IUPAC name of 1-benzyl-3-chloropyrazolo[5,4-b]pyridine (CID 12597363) is 1-benzyl-3-chloropyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-benzyl-3-chloropyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-benzyl-3-chloropyrazolo[5,4-b]pyridine is Clc1nn(Cc2ccccc2)c2ncccc12.
What is the InChIKey of 1-benzyl-3-chloropyrazolo[5,4-b]pyridine?
The InChIKey is MQUNBMCCKBDPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-12-11-7-4-8-15-13(11)17(16-12)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-benzyl-3-chloropyrazolo[5,4-b]pyridine?
1-benzyl-3-chloropyrazolo[5,4-b]pyridine has a molecular weight of 243.70 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-chloropyrazolo[5,4-b]pyridine is sourced from PubChem (CID 12597363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).