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

C9H8BrF2NO2 — CID 130069517

IUPAC2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid
SMILESCc1c(C(F)F)ncc(Br)c1CC(=O)O
InChIInChI=1S/C9H8BrF2NO2/c1-4-5(2-7(14)15)6(10)3-13-8(4)9(11)12/h3,9H,2H2,1H3,(H,14,15)
InChIKeyZSFWSOVFHVNMJU-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.72
Rot. Bonds3

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

2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid (PubChem CID 130069517) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid
PubChem CID130069517
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Name2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid
SMILESCc1c(C(F)F)ncc(Br)c1CC(=O)O
InChIInChI=1S/C9H8BrF2NO2/c1-4-5(2-7(14)15)6(10)3-13-8(4)9(11)12/h3,9H,2H2,1H3,(H,14,15)
InChIKeyZSFWSOVFHVNMJU-UHFFFAOYSA-N
XLogP2.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 130068482
2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130108376
2-[5-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070464
2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 130090297
2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
CID 130069325
2-[5-(bromomethyl)-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 130090266
2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid
CID 130110518
2-[3-bromo-2-(difluoromethyl)-5-iodo-4-pyridinyl]acetic acid
CID 130068464
2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 134663918
2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetic acid
CID 118999569
2-[2-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 118993349
5-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070367

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid?
The IUPAC name of 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid (CID 130069517) is 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid is Cc1c(C(F)F)ncc(Br)c1CC(=O)O.
What is the InChIKey of 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid?
The InChIKey is ZSFWSOVFHVNMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c1-4-5(2-7(14)15)6(10)3-13-8(4)9(11)12/h3,9H,2H2,1H3,(H,14,15).
What are the key properties of 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid?
2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid has a molecular weight of 280.07 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid is sourced from PubChem (CID 130069517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).