4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine

C11H11BrClN3 — CID 83267145

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine
SMILESCc1cnc(Cl)cc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C11H11BrClN3/c1-6-5-14-10(13)4-9(6)16-8(3)11(12)7(2)15-16/h4-5H,1-3H3
InChIKeyKFSZYOPZZPYREJ-UHFFFAOYSA-N
MW300.59 g/mol
LogP3.61
Rot. Bonds1

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine (PubChem CID 83267145) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine
PubChem CID83267145
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine
SMILESCc1cnc(Cl)cc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C11H11BrClN3/c1-6-5-14-10(13)4-9(6)16-8(3)11(12)7(2)15-16/h4-5H,1-3H3
InChIKeyKFSZYOPZZPYREJ-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 53.61
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-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine (CID 83267145) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine is Cc1cnc(Cl)cc1-n1nc(C)c(Br)c1C.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine?
The InChIKey is KFSZYOPZZPYREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c1-6-5-14-10(13)4-9(6)16-8(3)11(12)7(2)15-16/h4-5H,1-3H3.
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine has a molecular weight of 300.59 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine is sourced from PubChem (CID 83267145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).