6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid

C8H5BrF2INO2 — CID 130087202

IUPAC6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
SMILESO=C(O)c1cc(I)c(C(F)F)c(CBr)n1
InChIInChI=1S/C8H5BrF2INO2/c9-2-5-6(7(10)11)3(12)1-4(13-5)8(14)15/h1,7H,2H2,(H,14,15)
InChIKeyLLUUAEGVJFTLGV-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.22
Rot. Bonds3

About 6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid

6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid (PubChem CID 130087202) has the molecular formula C8H5BrF2INO2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
PubChem CID130087202
Molecular FormulaC8H5BrF2INO2
Molecular Weight391.94 g/mol
Exact Mass390.85
IUPAC Name6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
SMILESO=C(O)c1cc(I)c(C(F)F)c(CBr)n1
InChIInChI=1S/C8H5BrF2INO2/c9-2-5-6(7(10)11)3(12)1-4(13-5)8(14)15/h1,7H,2H2,(H,14,15)
InChIKeyLLUUAEGVJFTLGV-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'}

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Related Compounds

2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 130087218
6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
CID 130087214
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665188
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130086964
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 118814114
methyl 2-[6-(bromomethyl)-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 133100544
4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098211
2-[2-(bromomethyl)-6-chloro-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118843847
2-(bromomethyl)-4-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 118815747
4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine
CID 130068259
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 118806357
2-[6-cyano-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid
CID 130077696

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid?
The IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid (CID 130087202) is 6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid.
What is the SMILES notation for 6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid?
The canonical SMILES for 6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid is O=C(O)c1cc(I)c(C(F)F)c(CBr)n1.
What is the InChIKey of 6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid?
The InChIKey is LLUUAEGVJFTLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2INO2/c9-2-5-6(7(10)11)3(12)1-4(13-5)8(14)15/h1,7H,2H2,(H,14,15).
What are the key properties of 6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid?
6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-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)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid is sourced from PubChem (CID 130087202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).