2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid

C9H5BrF5NO2 — CID 134685323

IUPAC2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(Br)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H5BrF5NO2/c10-5-1-3(9(13,14)15)7(8(11)12)4(16-5)2-6(17)18/h1,8H,2H2,(H,17,18)
InChIKeyFPOOMKJGYGECIW-UHFFFAOYSA-N
MW334.04 g/mol
LogP3.43
Rot. Bonds3

About 2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid

2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 134685323) has the molecular formula C9H5BrF5NO2 and a molecular weight of 334.04 g/mol. Its IUPAC name is 2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID134685323
Molecular FormulaC9H5BrF5NO2
Molecular Weight334.04 g/mol
Exact Mass332.94
IUPAC Name2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1nc(Br)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H5BrF5NO2/c10-5-1-3(9(13,14)15)7(8(11)12)4(16-5)2-6(17)18/h1,8H,2H2,(H,17,18)
InChIKeyFPOOMKJGYGECIW-UHFFFAOYSA-N
XLogP3.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 53.43
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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Related Compounds

2-[3-(difluoromethyl)-6-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100106
2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118818465
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 130070180
2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
CID 134671684
2-[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetic acid
CID 134674036
2-[6-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118848517
2-[3-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133103727
2-[4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118816812
2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118850473
methyl 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133104038
2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134683635
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118826511

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 134685323) is 2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1nc(Br)cc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is FPOOMKJGYGECIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF5NO2/c10-5-1-3(9(13,14)15)7(8(11)12)4(16-5)2-6(17)18/h1,8H,2H2,(H,17,18).
What are the key properties of 2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 334.04 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134685323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).