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

C8H5BrF3NO2 — CID 131307198

IUPAC2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(Br)cncc1C(F)(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-6-3-13-2-5(8(10,11)12)4(6)1-7(14)15/h2-3H,1H2,(H,14,15)
InChIKeyFXCMSRQGZYWBPA-UHFFFAOYSA-N
MW284.03 g/mol
LogP2.49
Rot. Bonds2

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

2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 131307198) has the molecular formula C8H5BrF3NO2 and a molecular weight of 284.03 g/mol. Its IUPAC name is 2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid
PubChem CID131307198
Molecular FormulaC8H5BrF3NO2
Molecular Weight284.03 g/mol
Exact Mass282.95
IUPAC Name2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(Br)cncc1C(F)(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-6-3-13-2-5(8(10,11)12)4(6)1-7(14)15/h2-3H,1H2,(H,14,15)
InChIKeyFXCMSRQGZYWBPA-UHFFFAOYSA-N
XLogP2.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118809162
2-[2-bromo-3-cyano-6-(trifluoromethyl)phenyl]acetic acid
CID 119005861
2-[2-bromo-3-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 171000209
2-(4-amino-5-bromo-3-pyridinyl)acetic acid
CID 131050880
2-[2-bromo-5-fluoro-4-(trifluoromethyl)phenyl]acetic acid
CID 146676121
3-bromo-4-methyl-5-(trifluoromethyl)pyridine
CID 59636175
4-bromo-3,5-bis(trifluoromethyl)pyridine
CID 131530790
[4-bromo-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118845465
2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118854183
2-[5-bromo-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 130068482
methyl 2-[3-amino-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 133098272
3-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 115008772

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid (CID 131307198) is 2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid is O=C(O)Cc1c(Br)cncc1C(F)(F)F.
What is the InChIKey of 2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is FXCMSRQGZYWBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO2/c9-6-3-13-2-5(8(10,11)12)4(6)1-7(14)15/h2-3H,1H2,(H,14,15).
What are the key properties of 2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid?
2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 284.03 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 131307198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).