5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine

C7H5BrF3NO — CID 130109359

IUPAC5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
SMILESCOc1c(F)ncc(Br)c1C(F)F
InChIInChI=1S/C7H5BrF3NO/c1-13-5-4(6(9)10)3(8)2-12-7(5)11/h2,6H,1H3
InChIKeyQXGOFORCEHSLSO-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.93
Rot. Bonds2

About 5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine

5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine (PubChem CID 130109359) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
PubChem CID130109359
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
SMILESCOc1c(F)ncc(Br)c1C(F)F
InChIInChI=1S/C7H5BrF3NO/c1-13-5-4(6(9)10)3(8)2-12-7(5)11/h2,6H,1H3
InChIKeyQXGOFORCEHSLSO-UHFFFAOYSA-N
XLogP2.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.93
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

5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130080683
3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine
CID 130109360
4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118812562
6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130101775
2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
CID 133105323
3,5-dibromo-4-(difluoromethyl)-2-methylpyridine
CID 130098940
5-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carbaldehyde
CID 130109713
5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109403
6-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carbonitrile
CID 119008821
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130109738
ethyl 2-[5-bromo-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 134683897
3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine?
The IUPAC name of 5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine (CID 130109359) is 5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine is COc1c(F)ncc(Br)c1C(F)F.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine?
The InChIKey is QXGOFORCEHSLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c1-13-5-4(6(9)10)3(8)2-12-7(5)11/h2,6H,1H3.
What are the key properties of 5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine?
5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine has a molecular weight of 256.02 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine is sourced from PubChem (CID 130109359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).