2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid

C9H5BrF5NO2 — CID 134676275

IUPAC2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(C(F)F)c(Br)c1C(F)(F)F
InChIInChI=1S/C9H5BrF5NO2/c10-6-5(9(13,14)15)3(1-4(17)18)2-16-7(6)8(11)12/h2,8H,1H2,(H,17,18)
InChIKeyUWHLPFPOEUYMNX-UHFFFAOYSA-N
MW334.04 g/mol
LogP3.43
Rot. Bonds3

About 2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid

2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 134676275) has the molecular formula C9H5BrF5NO2 and a molecular weight of 334.04 g/mol. Its IUPAC name is 2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID134676275
Molecular FormulaC9H5BrF5NO2
Molecular Weight334.04 g/mol
Exact Mass332.94
IUPAC Name2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(C(F)F)c(Br)c1C(F)(F)F
InChIInChI=1S/C9H5BrF5NO2/c10-6-5(9(13,14)15)3(1-4(17)18)2-16-7(6)8(11)12/h2,8H,1H2,(H,17,18)
InChIKeyUWHLPFPOEUYMNX-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

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Related Compounds

2-[5-amino-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671566
2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid
CID 130110518
2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118831820
2-[3-bromo-2-(difluoromethyl)-5-iodo-4-pyridinyl]acetic acid
CID 130068464
2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 118805918
2-[6-cyano-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 133106191
2-[4,6-dibromo-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119024098
methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134673471
2-[6-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118821286
[4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 130107749
2-[5-bromo-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 130068482
2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 134663918

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 134676275) is 2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid is O=C(O)Cc1cnc(C(F)F)c(Br)c1C(F)(F)F.
What is the InChIKey of 2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is UWHLPFPOEUYMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF5NO2/c10-6-5(9(13,14)15)3(1-4(17)18)2-16-7(6)8(11)12/h2,8H,1H2,(H,17,18).
What are the key properties of 2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid?
2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-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-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 134676275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).