6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid

C7H3BrF3NO2 — CID 56973635

IUPAC6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H3BrF3NO2/c8-5-4(7(9,10)11)1-3(2-12-5)6(13)14/h1-2H,(H,13,14)
InChIKeyROFHPSYCGBNEEP-UHFFFAOYSA-N
MW270.00 g/mol
LogP2.56
Rot. Bonds1

About 6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid

6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 56973635) has the molecular formula C7H3BrF3NO2 and a molecular weight of 270.00 g/mol. Its IUPAC name is 6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID56973635
Molecular FormulaC7H3BrF3NO2
Molecular Weight270.00 g/mol
Exact Mass268.93
IUPAC Name6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H3BrF3NO2/c8-5-4(7(9,10)11)1-3(2-12-5)6(13)14/h1-2H,(H,13,14)
InChIKeyROFHPSYCGBNEEP-UHFFFAOYSA-N
XLogP2.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.00
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 56973635) is 6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cnc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is ROFHPSYCGBNEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO2/c8-5-4(7(9,10)11)1-3(2-12-5)6(13)14/h1-2H,(H,13,14).
What are the key properties of 6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid?
6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 270.00 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 56973635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).