2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine

C10H13BrFNO — CID 153306799

IUPAC2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine
SMILESCOc1cc(C(C)(C)C)nc(Br)c1F
InChIInChI=1S/C10H13BrFNO/c1-10(2,3)7-5-6(14-4)8(12)9(11)13-7/h5H,1-4H3
InChIKeyUKPOJNVOWOFOPD-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.29
Rot. Bonds1

About 2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine

2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine (PubChem CID 153306799) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine.

Molecular Properties

Compound Name2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine
PubChem CID153306799
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine
SMILESCOc1cc(C(C)(C)C)nc(Br)c1F
InChIInChI=1S/C10H13BrFNO/c1-10(2,3)7-5-6(14-4)8(12)9(11)13-7/h5H,1-4H3
InChIKeyUKPOJNVOWOFOPD-UHFFFAOYSA-N
XLogP3.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine?
The IUPAC name of 2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine (CID 153306799) is 2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine.
What is the SMILES notation for 2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine?
The canonical SMILES for 2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine is COc1cc(C(C)(C)C)nc(Br)c1F.
What is the InChIKey of 2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine?
The InChIKey is UKPOJNVOWOFOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-10(2,3)7-5-6(14-4)8(12)9(11)13-7/h5H,1-4H3.
What are the key properties of 2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine?
2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine has a molecular weight of 262.12 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-tert-butyl-3-fluoro-4-methoxypyridine is sourced from PubChem (CID 153306799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).