6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid

C7H3BrF3NO3 — CID 130089553

IUPAC6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C7H3BrF3NO3/c8-4-2-1-3(15-7(9,10)11)5(12-4)6(13)14/h1-2H,(H,13,14)
InChIKeyZYWZTESJDHLGKI-UHFFFAOYSA-N
MW286.00 g/mol
LogP2.44
Rot. Bonds2

About 6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid

6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 130089553) has the molecular formula C7H3BrF3NO3 and a molecular weight of 286.00 g/mol. Its IUPAC name is 6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID130089553
Molecular FormulaC7H3BrF3NO3
Molecular Weight286.00 g/mol
Exact Mass284.92
IUPAC Name6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C7H3BrF3NO3/c8-4-2-1-3(15-7(9,10)11)5(12-4)6(13)14/h1-2H,(H,13,14)
InChIKeyZYWZTESJDHLGKI-UHFFFAOYSA-N
XLogP2.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.00
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118999323
6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118992472
6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 130089390
6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118814679
3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089873
6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134676940
5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 133085890
6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118819823
6-bromo-3-(bromomethyl)pyridine-2-carboxylic acid
CID 130116153
4-bromo-2-(trifluoromethoxy)benzoic acid
CID 16665572
3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134664731
methyl 6-bromo-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028986

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 130089553) is 6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1nc(Br)ccc1OC(F)(F)F.
What is the InChIKey of 6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is ZYWZTESJDHLGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO3/c8-4-2-1-3(15-7(9,10)11)5(12-4)6(13)14/h1-2H,(H,13,14).
What are the key properties of 6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 286.00 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 130089553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).