2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid

C8H5BrF2INO2 — CID 130087218

IUPAC2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(I)c(C(F)F)nc1CBr
InChIInChI=1S/C8H5BrF2INO2/c9-2-5-3(8(14)15)1-4(12)6(13-5)7(10)11/h1,7H,2H2,(H,14,15)
InChIKeyZWMUYUOWEASKLM-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.22
Rot. Bonds3

About 2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid

2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid (PubChem CID 130087218) has the molecular formula C8H5BrF2INO2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
PubChem CID130087218
Molecular FormulaC8H5BrF2INO2
Molecular Weight391.94 g/mol
Exact Mass390.85
IUPAC Name2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(I)c(C(F)F)nc1CBr
InChIInChI=1S/C8H5BrF2INO2/c9-2-5-3(8(14)15)1-4(12)6(13-5)7(10)11/h1,7H,2H2,(H,14,15)
InChIKeyZWMUYUOWEASKLM-UHFFFAOYSA-N
XLogP3.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic 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-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130081939
2-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075309
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid
CID 118848577
2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid
CID 130086318
2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid
CID 118998027
6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119006565
6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130087202
2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
CID 118838243
6-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 118991988
5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 130081975
2-[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070486

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
The IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid (CID 130087218) is 2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid.
What is the SMILES notation for 2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
The canonical SMILES for 2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid is O=C(O)c1cc(I)c(C(F)F)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
The InChIKey is ZWMUYUOWEASKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2INO2/c9-2-5-3(8(14)15)1-4(12)6(13-5)7(10)11/h1,7H,2H2,(H,14,15).
What are the key properties of 2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid has a molecular weight of 391.94 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid is sourced from PubChem (CID 130087218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).