3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine

C10H9BrClN3O — CID 114837815

IUPAC3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine
SMILESCc1cc(Oc2ncc(Cl)cc2Br)n(C)n1
InChIInChI=1S/C10H9BrClN3O/c1-6-3-9(15(2)14-6)16-10-8(11)4-7(12)5-13-10/h3-5H,1-2H3
InChIKeyKXQOXYVNCZNYHN-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.33
Rot. Bonds2

About 3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine

3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine (PubChem CID 114837815) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine
PubChem CID114837815
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine
SMILESCc1cc(Oc2ncc(Cl)cc2Br)n(C)n1
InChIInChI=1S/C10H9BrClN3O/c1-6-3-9(15(2)14-6)16-10-8(11)4-7(12)5-13-10/h3-5H,1-2H3
InChIKeyKXQOXYVNCZNYHN-UHFFFAOYSA-N
XLogP3.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine?
The IUPAC name of 3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine (CID 114837815) is 3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine?
The canonical SMILES for 3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine is Cc1cc(Oc2ncc(Cl)cc2Br)n(C)n1.
What is the InChIKey of 3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine?
The InChIKey is KXQOXYVNCZNYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-6-3-9(15(2)14-6)16-10-8(11)4-7(12)5-13-10/h3-5H,1-2H3.
What are the key properties of 3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine?
3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine has a molecular weight of 302.56 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(2,5-dimethylpyrazol-3-yl)oxypyridine is sourced from PubChem (CID 114837815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).