5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid

C8H3BrF5NO2 — CID 134674275

IUPAC5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c(Br)cc1C(F)(F)F
InChIInChI=1S/C8H3BrF5NO2/c9-3-1-2(8(12,13)14)4(7(16)17)15-5(3)6(10)11/h1,6H,(H,16,17)
InChIKeyUSBIDDXUGXQGPA-UHFFFAOYSA-N
MW320.01 g/mol
LogP3.50
Rot. Bonds2

About 5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid

5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 134674275) has the molecular formula C8H3BrF5NO2 and a molecular weight of 320.01 g/mol. Its IUPAC name is 5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID134674275
Molecular FormulaC8H3BrF5NO2
Molecular Weight320.01 g/mol
Exact Mass318.93
IUPAC Name5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c(Br)cc1C(F)(F)F
InChIInChI=1S/C8H3BrF5NO2/c9-3-1-2(8(12,13)14)4(7(16)17)15-5(3)6(10)11/h1,6H,(H,16,17)
InChIKeyUSBIDDXUGXQGPA-UHFFFAOYSA-N
XLogP3.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.01
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133107036
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118854491
3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134658740
[5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118825637
2,3-dibromo-6-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 134683525
2-bromo-4,5-bis(trifluoromethyl)benzoic acid
CID 118801484
2-[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070486
6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118825978
3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098782
3-bromo-2-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine
CID 130109594
3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 130069422
6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119008053

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid (CID 134674275) is 5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1nc(C(F)F)c(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is USBIDDXUGXQGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF5NO2/c9-3-1-2(8(12,13)14)4(7(16)17)15-5(3)6(10)11/h1,6H,(H,16,17).
What are the key properties of 5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 320.01 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134674275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).