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

C8H5BrF3NO2 — CID 130109840

IUPAC2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(F)ncc(C(F)F)c1Br
InChIInChI=1S/C8H5BrF3NO2/c9-6-3(1-5(14)15)8(12)13-2-4(6)7(10)11/h2,7H,1H2,(H,14,15)
InChIKeyPHUQXUDEZVWXGT-UHFFFAOYSA-N
MW284.03 g/mol
LogP2.55
Rot. Bonds3

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

2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid (PubChem CID 130109840) has the molecular formula C8H5BrF3NO2 and a molecular weight of 284.03 g/mol. Its IUPAC name is 2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
PubChem CID130109840
Molecular FormulaC8H5BrF3NO2
Molecular Weight284.03 g/mol
Exact Mass282.95
IUPAC Name2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(F)ncc(C(F)F)c1Br
InChIInChI=1S/C8H5BrF3NO2/c9-6-3(1-5(14)15)8(12)13-2-4(6)7(10)11/h2,7H,1H2,(H,14,15)
InChIKeyPHUQXUDEZVWXGT-UHFFFAOYSA-N
XLogP2.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118805144
2-[3-(aminomethyl)-4-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134667546
2-[4-bromo-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108379
2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130096522
2-[5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082416
2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid
CID 130110518
2-[5-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130109845
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108367
2-[3-bromo-2-(difluoromethyl)-5-iodo-4-pyridinyl]acetic acid
CID 130068464
2-[2-bromo-3-cyano-5-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119024525
2-[4-bromo-3-cyano-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118805503
methyl 2-[3-bromo-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 134674264

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid (CID 130109840) is 2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid is O=C(O)Cc1c(F)ncc(C(F)F)c1Br.
What is the InChIKey of 2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid?
The InChIKey is PHUQXUDEZVWXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO2/c9-6-3(1-5(14)15)8(12)13-2-4(6)7(10)11/h2,7H,1H2,(H,14,15).
What are the key properties of 2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid?
2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid has a molecular weight of 284.03 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid is sourced from PubChem (CID 130109840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).