3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine

C13H15BrClN3 — CID 163492899

IUPAC3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine
SMILESCC1CCC(n2nc(Br)c3cnc(Cl)cc32)CC1
InChIInChI=1S/C13H15BrClN3/c1-8-2-4-9(5-3-8)18-11-6-12(15)16-7-10(11)13(14)17-18/h6-9H,2-5H2,1H3
InChIKeyCOEGHBJWTWJBPR-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.60
Rot. Bonds1

About 3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine

3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine (PubChem CID 163492899) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is 3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine
PubChem CID163492899
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine
SMILESCC1CCC(n2nc(Br)c3cnc(Cl)cc32)CC1
InChIInChI=1S/C13H15BrClN3/c1-8-2-4-9(5-3-8)18-11-6-12(15)16-7-10(11)13(14)17-18/h6-9H,2-5H2,1H3
InChIKeyCOEGHBJWTWJBPR-UHFFFAOYSA-N
XLogP4.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.60
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 3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine (CID 163492899) is 3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine is CC1CCC(n2nc(Br)c3cnc(Cl)cc32)CC1.
What is the InChIKey of 3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine?
The InChIKey is COEGHBJWTWJBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-8-2-4-9(5-3-8)18-11-6-12(15)16-7-10(11)13(14)17-18/h6-9H,2-5H2,1H3.
What are the key properties of 3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine?
3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine has a molecular weight of 328.64 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 163492899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).