5-bromo-2-fluoropyridine-3-carbonyl fluoride

C6H2BrF2NO — CID 169030811

IUPAC5-bromo-2-fluoropyridine-3-carbonyl fluoride
SMILESO=C(F)c1cc(Br)cnc1F
InChIInChI=1S/C6H2BrF2NO/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H
InChIKeyZZORLPHJVNLCLT-UHFFFAOYSA-N
MW221.99 g/mol
LogP2.09
Rot. Bonds1

About 5-bromo-2-fluoropyridine-3-carbonyl fluoride

5-bromo-2-fluoropyridine-3-carbonyl fluoride (PubChem CID 169030811) has the molecular formula C6H2BrF2NO and a molecular weight of 221.99 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine-3-carbonyl fluoride.

Molecular Properties

Compound Name5-bromo-2-fluoropyridine-3-carbonyl fluoride
PubChem CID169030811
Molecular FormulaC6H2BrF2NO
Molecular Weight221.99 g/mol
Exact Mass220.93
IUPAC Name5-bromo-2-fluoropyridine-3-carbonyl fluoride
SMILESO=C(F)c1cc(Br)cnc1F
InChIInChI=1S/C6H2BrF2NO/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H
InChIKeyZZORLPHJVNLCLT-UHFFFAOYSA-N
XLogP2.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.99
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-fluoro-N-methylpyridine-3-carboxamide
CID 74890483
ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate
CID 59832332
3-(5-bromo-2-fluoro-3-pyridinyl)prop-2-enoic acid
CID 169461179
5-bromo-2-methylsulfanylpyridine-3-carboxamide
CID 145411187
5-bromo-2-chloropyridine-3-carboxamide
CID 12629794
5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130096549
CID 172631320
CID 172631320
methyl 6-(5-bromo-2-fluoro-3-pyridinyl)-4-methylpyridine-3-carboxylate
CID 154848544
5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid
CID 146050007
dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
2-(aminomethyl)-5-bromopyridine-3-carboxylic acid
CID 165451398
5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889174

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine-3-carbonyl fluoride?
The IUPAC name of 5-bromo-2-fluoropyridine-3-carbonyl fluoride (CID 169030811) is 5-bromo-2-fluoropyridine-3-carbonyl fluoride.
What is the SMILES notation for 5-bromo-2-fluoropyridine-3-carbonyl fluoride?
The canonical SMILES for 5-bromo-2-fluoropyridine-3-carbonyl fluoride is O=C(F)c1cc(Br)cnc1F.
What is the InChIKey of 5-bromo-2-fluoropyridine-3-carbonyl fluoride?
The InChIKey is ZZORLPHJVNLCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF2NO/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H.
What are the key properties of 5-bromo-2-fluoropyridine-3-carbonyl fluoride?
5-bromo-2-fluoropyridine-3-carbonyl fluoride has a molecular weight of 221.99 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoropyridine-3-carbonyl fluoride is sourced from PubChem (CID 169030811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).