2-bromo-5-(1,2,2-trifluoroethoxy)pyridine

C7H5BrF3NO — CID 175422672

IUPAC2-bromo-5-(1,2,2-trifluoroethoxy)pyridine
SMILESFC(F)C(F)Oc1ccc(Br)nc1
InChIInChI=1S/C7H5BrF3NO/c8-5-2-1-4(3-12-5)13-7(11)6(9)10/h1-3,6-7H
InChIKeyLJEABNFUUPQKOA-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.78
Rot. Bonds3

About 2-bromo-5-(1,2,2-trifluoroethoxy)pyridine

2-bromo-5-(1,2,2-trifluoroethoxy)pyridine (PubChem CID 175422672) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 2-bromo-5-(1,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-bromo-5-(1,2,2-trifluoroethoxy)pyridine
PubChem CID175422672
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name2-bromo-5-(1,2,2-trifluoroethoxy)pyridine
SMILESFC(F)C(F)Oc1ccc(Br)nc1
InChIInChI=1S/C7H5BrF3NO/c8-5-2-1-4(3-12-5)13-7(11)6(9)10/h1-3,6-7H
InChIKeyLJEABNFUUPQKOA-UHFFFAOYSA-N
XLogP2.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.78
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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Related Compounds

2-bromo-5-(1-fluoro-2-methylprop-2-enoxy)pyridine
CID 166831306
(2S)-2-[(6-bromo-3-pyridinyl)oxy]propanoic acid
CID 138717997
2-[(6-bromo-3-pyridinyl)oxy]propanenitrile
CID 107396751
2-[(6-bromo-3-pyridinyl)oxy]-N,N-dimethylpropanamide
CID 107396753
2-[(6-bromo-3-pyridinyl)oxy]ethanol
CID 86643980
2-bromo-5-(4-chlorophenoxy)pyridine
CID 102468097
2-bromo-5-butoxypyridine
CID 87199523
2-bromo-5-(3-chloropropoxy)pyridine
CID 137352816
2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine
CID 103695236
2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide
CID 107396697
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 107396677
2-[(6-bromo-3-pyridinyl)oxy]-N-methylethanamine
CID 162753112

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-bromo-5-(1,2,2-trifluoroethoxy)pyridine (CID 175422672) is 2-bromo-5-(1,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-bromo-5-(1,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-bromo-5-(1,2,2-trifluoroethoxy)pyridine is FC(F)C(F)Oc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-(1,2,2-trifluoroethoxy)pyridine?
The InChIKey is LJEABNFUUPQKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-5-2-1-4(3-12-5)13-7(11)6(9)10/h1-3,6-7H.
What are the key properties of 2-bromo-5-(1,2,2-trifluoroethoxy)pyridine?
2-bromo-5-(1,2,2-trifluoroethoxy)pyridine has a molecular weight of 256.02 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 175422672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).