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

C8H5ClF2INO2 — CID 118826934

IUPAC6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid
SMILESO=C(O)c1nc(CCl)c(I)cc1C(F)F
InChIInChI=1S/C8H5ClF2INO2/c9-2-5-4(12)1-3(7(10)11)6(13-5)8(14)15/h1,7H,2H2,(H,14,15)
InChIKeySQHIZTICDSFQNX-UHFFFAOYSA-N
MW347.49 g/mol
LogP3.06
Rot. Bonds3

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

6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid (PubChem CID 118826934) has the molecular formula C8H5ClF2INO2 and a molecular weight of 347.49 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid
PubChem CID118826934
Molecular FormulaC8H5ClF2INO2
Molecular Weight347.49 g/mol
Exact Mass346.90
IUPAC Name6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid
SMILESO=C(O)c1nc(CCl)c(I)cc1C(F)F
InChIInChI=1S/C8H5ClF2INO2/c9-2-5-4(12)1-3(7(10)11)6(13-5)8(14)15/h1,7H,2H2,(H,14,15)
InChIKeySQHIZTICDSFQNX-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 ≤ 500347.49
LogP ≤ 53.06
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 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-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

6-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
CID 118804374
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridin-2-amine
CID 119019561
3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133100358
3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 118821181
6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 119023037
2-(chloromethyl)-6-(difluoromethyl)-4-iodopyridine-3-carboxylic acid
CID 118854965
5-(chloromethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098409
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130087578
2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118804299
6-chloro-2-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119012569

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid?
The IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid (CID 118826934) is 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid.
What is the SMILES notation for 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid?
The canonical SMILES for 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid is O=C(O)c1nc(CCl)c(I)cc1C(F)F.
What is the InChIKey of 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid?
The InChIKey is SQHIZTICDSFQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO2/c9-2-5-4(12)1-3(7(10)11)6(13-5)8(14)15/h1,7H,2H2,(H,14,15).
What are the key properties of 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid?
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid has a molecular weight of 347.49 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 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid is sourced from PubChem (CID 118826934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).