6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid

C8H5BrF2INO2 — CID 130087214

IUPAC6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
SMILESO=C(O)c1cc(CBr)nc(I)c1C(F)F
InChIInChI=1S/C8H5BrF2INO2/c9-2-3-1-4(8(14)15)5(6(10)11)7(12)13-3/h1,6H,2H2,(H,14,15)
InChIKeyQURKXRQZRNUQTL-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.22
Rot. Bonds3

About 6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid

6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid (PubChem CID 130087214) has the molecular formula C8H5BrF2INO2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
PubChem CID130087214
Molecular FormulaC8H5BrF2INO2
Molecular Weight391.94 g/mol
Exact Mass390.85
IUPAC Name6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
SMILESO=C(O)c1cc(CBr)nc(I)c1C(F)F
InChIInChI=1S/C8H5BrF2INO2/c9-2-3-1-4(8(14)15)5(6(10)11)7(12)13-3/h1,6H,2H2,(H,14,15)
InChIKeyQURKXRQZRNUQTL-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080004
6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130087202
2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 130087218
6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130098199
3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride
CID 130100732
6-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carboxylic acid
CID 130109726
3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133100823
methyl 2-[6-(bromomethyl)-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 133100544
6-(bromomethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134667695
2-(bromomethyl)-4-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 118815747
6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130102115
5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 130081975

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid?
The IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid (CID 130087214) is 6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid.
What is the SMILES notation for 6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid?
The canonical SMILES for 6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid is O=C(O)c1cc(CBr)nc(I)c1C(F)F.
What is the InChIKey of 6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid?
The InChIKey is QURKXRQZRNUQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2INO2/c9-2-3-1-4(8(14)15)5(6(10)11)7(12)13-3/h1,6H,2H2,(H,14,15).
What are the key properties of 6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid?
6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-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 6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid is sourced from PubChem (CID 130087214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).