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

C8H5BrClF2NO2 — CID 118805144

IUPAC2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(Cl)ncc(C(F)F)c1Br
InChIInChI=1S/C8H5BrClF2NO2/c9-6-3(1-5(14)15)7(10)13-2-4(6)8(11)12/h2,8H,1H2,(H,14,15)
InChIKeyCPJGQLVWLVZPMA-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.06
Rot. Bonds3

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

2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 118805144) has the molecular formula C8H5BrClF2NO2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
PubChem CID118805144
Molecular FormulaC8H5BrClF2NO2
Molecular Weight300.49 g/mol
Exact Mass298.92
IUPAC Name2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(Cl)ncc(C(F)F)c1Br
InChIInChI=1S/C8H5BrClF2NO2/c9-6-3(1-5(14)15)7(10)13-2-4(6)8(11)12/h2,8H,1H2,(H,14,15)
InChIKeyCPJGQLVWLVZPMA-UHFFFAOYSA-N
XLogP3.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.06
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-2-chloro-5-(difluoromethyl)-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-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130109840
2-[2-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 118993349
2-[4-bromo-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108379
2-[3-(aminomethyl)-4-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134667546
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108367
4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118799512
2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130108376
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075315
[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130108201
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075064
2-[3-bromo-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetic acid
CID 130110518

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid (CID 118805144) is 2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid is O=C(O)Cc1c(Cl)ncc(C(F)F)c1Br.
What is the InChIKey of 2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is CPJGQLVWLVZPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO2/c9-6-3(1-5(14)15)7(10)13-2-4(6)8(11)12/h2,8H,1H2,(H,14,15).
What are the key properties of 2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid?
2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 300.49 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118805144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).