2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine

C8H8BrF2NO — CID 170576941

IUPAC2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine
SMILESCOc1cc(Br)nc(C(C)(F)F)c1
InChIInChI=1S/C8H8BrF2NO/c1-8(10,11)6-3-5(13-2)4-7(9)12-6/h3-4H,1-2H3
InChIKeyBNIIZJJJUWROPM-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.96
Rot. Bonds2

About 2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine

2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine (PubChem CID 170576941) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine.

Molecular Properties

Compound Name2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine
PubChem CID170576941
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine
SMILESCOc1cc(Br)nc(C(C)(F)F)c1
InChIInChI=1S/C8H8BrF2NO/c1-8(10,11)6-3-5(13-2)4-7(9)12-6/h3-4H,1-2H3
InChIKeyBNIIZJJJUWROPM-UHFFFAOYSA-N
XLogP2.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine?
The IUPAC name of 2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine (CID 170576941) is 2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine.
What is the SMILES notation for 2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine?
The canonical SMILES for 2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine is COc1cc(Br)nc(C(C)(F)F)c1.
What is the InChIKey of 2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine?
The InChIKey is BNIIZJJJUWROPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-8(10,11)6-3-5(13-2)4-7(9)12-6/h3-4H,1-2H3.
What are the key properties of 2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine?
2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine has a molecular weight of 252.06 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1,1-difluoroethyl)-4-methoxypyridine is sourced from PubChem (CID 170576941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).