5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine

C11H11BrFN3O — CID 167971668

IUPAC5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine
SMILESCn1cc(CCOc2cc(Br)cnc2F)cn1
InChIInChI=1S/C11H11BrFN3O/c1-16-7-8(5-15-16)2-3-17-10-4-9(12)6-14-11(10)13/h4-7H,2-3H2,1H3
InChIKeyDROTUBLMGRJJQF-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.34
Rot. Bonds4

About 5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine

5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine (PubChem CID 167971668) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine
PubChem CID167971668
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine
SMILESCn1cc(CCOc2cc(Br)cnc2F)cn1
InChIInChI=1S/C11H11BrFN3O/c1-16-7-8(5-15-16)2-3-17-10-4-9(12)6-14-11(10)13/h4-7H,2-3H2,1H3
InChIKeyDROTUBLMGRJJQF-UHFFFAOYSA-N
XLogP2.34
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999396
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336
1-[4-bromo-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-ethylethanamine
CID 103000046
5-bromo-2-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride
CID 103000419
[3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999868
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
(1R)-1-[3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 102999976
3,5-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999366
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonamide
CID 103003957
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119
4-[2-[4-(bromomethyl)-2-ethoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003729
2-(1-methylpyrazol-4-yl)ethyl 4-bromo-2,6-difluorobenzoate
CID 75512837

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine?
The IUPAC name of 5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine (CID 167971668) is 5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine.
What is the SMILES notation for 5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine?
The canonical SMILES for 5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine is Cn1cc(CCOc2cc(Br)cnc2F)cn1.
What is the InChIKey of 5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine?
The InChIKey is DROTUBLMGRJJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-16-7-8(5-15-16)2-3-17-10-4-9(12)6-14-11(10)13/h4-7H,2-3H2,1H3.
What are the key properties of 5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine?
5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine has a molecular weight of 300.13 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-[2-(1-methylpyrazol-4-yl)ethoxy]pyridine is sourced from PubChem (CID 167971668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).