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

C8H3BrF5NO3 — CID 118992472

IUPAC6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Br)c(C(F)F)cc1OC(F)(F)F
InChIInChI=1S/C8H3BrF5NO3/c9-5-2(6(10)11)1-3(18-8(12,13)14)4(15-5)7(16)17/h1,6H,(H,16,17)
InChIKeyLEVRFTABDRFQQR-UHFFFAOYSA-N
MW336.01 g/mol
LogP3.38
Rot. Bonds3

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

6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 118992472) has the molecular formula C8H3BrF5NO3 and a molecular weight of 336.01 g/mol. Its IUPAC name is 6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID118992472
Molecular FormulaC8H3BrF5NO3
Molecular Weight336.01 g/mol
Exact Mass334.92
IUPAC Name6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Br)c(C(F)F)cc1OC(F)(F)F
InChIInChI=1S/C8H3BrF5NO3/c9-5-2(6(10)11)1-3(18-8(12,13)14)4(15-5)7(16)17/h1,6H,(H,16,17)
InChIKeyLEVRFTABDRFQQR-UHFFFAOYSA-N
XLogP3.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.01
LogP ≤ 53.38
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

5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677795
6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118814679
6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089553
6-bromo-5-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134675810
5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134662164
6-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119009809
5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681405
6-bromo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118999323
methyl 6-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134676245
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134661368
3,6-dibromo-5-(difluoromethyl)pyridine-2-carboxamide
CID 119025298
2-[6-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 119018182

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 118992472) is 6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1nc(Br)c(C(F)F)cc1OC(F)(F)F.
What is the InChIKey of 6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is LEVRFTABDRFQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF5NO3/c9-5-2(6(10)11)1-3(18-8(12,13)14)4(15-5)7(16)17/h1,6H,(H,16,17).
What are the key properties of 6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 336.01 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 118992472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).