6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine

C13H10BrN3 — CID 86699853

IUPAC6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine
SMILESCn1ncc2ncc(-c3cccc(Br)c3)cc21
InChIInChI=1S/C13H10BrN3/c1-17-13-6-10(7-15-12(13)8-16-17)9-3-2-4-11(14)5-9/h2-8H,1H3
InChIKeyNASZXJDSFQWVPS-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.40
Rot. Bonds1

About 6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine

6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine (PubChem CID 86699853) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine
PubChem CID86699853
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine
SMILESCn1ncc2ncc(-c3cccc(Br)c3)cc21
InChIInChI=1S/C13H10BrN3/c1-17-13-6-10(7-15-12(13)8-16-17)9-3-2-4-11(14)5-9/h2-8H,1H3
InChIKeyNASZXJDSFQWVPS-UHFFFAOYSA-N
XLogP3.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine (CID 86699853) is 6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine is Cn1ncc2ncc(-c3cccc(Br)c3)cc21.
What is the InChIKey of 6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine?
The InChIKey is NASZXJDSFQWVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-17-13-6-10(7-15-12(13)8-16-17)9-3-2-4-11(14)5-9/h2-8H,1H3.
What are the key properties of 6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine?
6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine has a molecular weight of 288.15 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-1-methylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 86699853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).