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

C7H3ClF2INO2 — CID 119006565

IUPAC6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(I)c(Cl)nc1C(F)F
InChIInChI=1S/C7H3ClF2INO2/c8-5-3(11)1-2(7(13)14)4(12-5)6(9)10/h1,6H,(H,13,14)
InChIKeyNKAIVSATHDUJRK-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.98
Rot. Bonds2

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

6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid (PubChem CID 119006565) has the molecular formula C7H3ClF2INO2 and a molecular weight of 333.46 g/mol. Its IUPAC name is 6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
PubChem CID119006565
Molecular FormulaC7H3ClF2INO2
Molecular Weight333.46 g/mol
Exact Mass332.89
IUPAC Name6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(I)c(Cl)nc1C(F)F
InChIInChI=1S/C7H3ClF2INO2/c8-5-3(11)1-2(7(13)14)4(12-5)6(9)10/h1,6H,(H,13,14)
InChIKeyNKAIVSATHDUJRK-UHFFFAOYSA-N
XLogP2.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-chloro-2-(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

6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid
CID 118837565
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118996818
2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 130087218
2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 119024451
3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid
CID 130105526
2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 119009190
6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid
CID 118848577
2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride
CID 118849139
2-chloro-5-(difluoromethyl)-3,6-diiodopyridine
CID 119016317
5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130108415

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid (CID 119006565) is 6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid is O=C(O)c1cc(I)c(Cl)nc1C(F)F.
What is the InChIKey of 6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
The InChIKey is NKAIVSATHDUJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2INO2/c8-5-3(11)1-2(7(13)14)4(12-5)6(9)10/h1,6H,(H,13,14).
What are the key properties of 6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid has a molecular weight of 333.46 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid is sourced from PubChem (CID 119006565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).