6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid

C8H6F2INO2 — CID 130086233

IUPAC6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)cc(C(F)F)nc1I
InChIInChI=1S/C8H6F2INO2/c1-3-4(8(13)14)2-5(6(9)10)12-7(3)11/h2,6H,1H3,(H,13,14)
InChIKeyKNJUXBZGUOEJDC-UHFFFAOYSA-N
MW313.04 g/mol
LogP2.63
Rot. Bonds2

About 6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid

6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid (PubChem CID 130086233) has the molecular formula C8H6F2INO2 and a molecular weight of 313.04 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
PubChem CID130086233
Molecular FormulaC8H6F2INO2
Molecular Weight313.04 g/mol
Exact Mass312.94
IUPAC Name6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)cc(C(F)F)nc1I
InChIInChI=1S/C8H6F2INO2/c1-3-4(8(13)14)2-5(6(9)10)12-7(3)11/h2,6H,1H3,(H,13,14)
InChIKeyKNJUXBZGUOEJDC-UHFFFAOYSA-N
XLogP2.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.04
LogP ≤ 52.63
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-(difluoromethyl)-2-iodo-3-methylpyridine-4-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-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134666314
2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 119024451
6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid
CID 130087967
6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide
CID 130100741
6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid
CID 118815145
methyl 6-(difluoromethyl)-3-hydroxy-2-iodopyridine-4-carboxylate
CID 130082903
2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 119009190
6-(difluoromethyl)-2-fluoro-3-hydroxypyridine-4-carboxylic acid
CID 130079649
6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
CID 130100962
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119013170
2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119002941
2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 118854402

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid (CID 130086233) is 6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid is Cc1c(C(=O)O)cc(C(F)F)nc1I.
What is the InChIKey of 6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid?
The InChIKey is KNJUXBZGUOEJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO2/c1-3-4(8(13)14)2-5(6(9)10)12-7(3)11/h2,6H,1H3,(H,13,14).
What are the key properties of 6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid?
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid has a molecular weight of 313.04 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 130086233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).