2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid

C10H9BrF3NO2 — CID 106797344

IUPAC2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid
SMILESCCC(C(=O)O)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO2/c1-2-6(9(16)17)8-7(10(12,13)14)3-5(11)4-15-8/h3-4,6H,2H2,1H3,(H,16,17)
InChIKeyYSVYEWPKRQRVIE-UHFFFAOYSA-N
MW312.09 g/mol
LogP3.44
Rot. Bonds3

About 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid

2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid (PubChem CID 106797344) has the molecular formula C10H9BrF3NO2 and a molecular weight of 312.09 g/mol. Its IUPAC name is 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid.

Molecular Properties

Compound Name2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid
PubChem CID106797344
Molecular FormulaC10H9BrF3NO2
Molecular Weight312.09 g/mol
Exact Mass310.98
IUPAC Name2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid
SMILESCCC(C(=O)O)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO2/c1-2-6(9(16)17)8-7(10(12,13)14)3-5(11)4-15-8/h3-4,6H,2H2,1H3,(H,16,17)
InChIKeyYSVYEWPKRQRVIE-UHFFFAOYSA-N
XLogP3.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
CID 90900248
2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid
CID 103584278
2-(5-bromo-3-nitro-2-pyridinyl)butanoic acid
CID 104572111
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 106796775
3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol
CID 106796928
5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
CID 134128575
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 106795831
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 106796769
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
2-bromo-1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]ethanone;1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]ethanone
CID 159268309
2-[3,5-bis(trifluoromethyl)phenyl]butanoic acid
CID 23225987
1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107153440

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid?
The IUPAC name of 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid (CID 106797344) is 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid.
What is the SMILES notation for 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid?
The canonical SMILES for 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid is CCC(C(=O)O)c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid?
The InChIKey is YSVYEWPKRQRVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO2/c1-2-6(9(16)17)8-7(10(12,13)14)3-5(11)4-15-8/h3-4,6H,2H2,1H3,(H,16,17).
What are the key properties of 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid?
2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid has a molecular weight of 312.09 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid is sourced from PubChem (CID 106797344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).