5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid

C6H5BrFNO2 — CID 174590021

IUPAC5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid
SMILESO=C(O)C1(F)C=CC(Br)=CN1
InChIInChI=1S/C6H5BrFNO2/c7-4-1-2-6(8,5(10)11)9-3-4/h1-3,9H,(H,10,11)
InChIKeyGOJFNFJHUQQEPT-UHFFFAOYSA-N
MW222.01 g/mol
LogP1.13
Rot. Bonds1

About 5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid

5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid (PubChem CID 174590021) has the molecular formula C6H5BrFNO2 and a molecular weight of 222.01 g/mol. Its IUPAC name is 5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid
PubChem CID174590021
Molecular FormulaC6H5BrFNO2
Molecular Weight222.01 g/mol
Exact Mass220.95
IUPAC Name5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid
SMILESO=C(O)C1(F)C=CC(Br)=CN1
InChIInChI=1S/C6H5BrFNO2/c7-4-1-2-6(8,5(10)11)9-3-4/h1-3,9H,(H,10,11)
InChIKeyGOJFNFJHUQQEPT-UHFFFAOYSA-N
XLogP1.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.01
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid (CID 174590021) is 5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid is O=C(O)C1(F)C=CC(Br)=CN1.
What is the InChIKey of 5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid?
The InChIKey is GOJFNFJHUQQEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO2/c7-4-1-2-6(8,5(10)11)9-3-4/h1-3,9H,(H,10,11).
What are the key properties of 5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid?
5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid has a molecular weight of 222.01 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 174590021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).