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

C7H3ClF2INO2 — CID 119024451

IUPAC2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)nc(Cl)c1I
InChIInChI=1S/C7H3ClF2INO2/c8-5-4(11)2(7(13)14)1-3(12-5)6(9)10/h1,6H,(H,13,14)
InChIKeyLVEMNDIKLQKVFC-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.98
Rot. Bonds2

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

2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid (PubChem CID 119024451) has the molecular formula C7H3ClF2INO2 and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
PubChem CID119024451
Molecular FormulaC7H3ClF2INO2
Molecular Weight333.46 g/mol
Exact Mass332.89
IUPAC Name2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)nc(Cl)c1I
InChIInChI=1S/C7H3ClF2INO2/c8-5-4(11)2(7(13)14)1-3(12-5)6(9)10/h1,6H,(H,13,14)
InChIKeyLVEMNDIKLQKVFC-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'}

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Related Compounds

2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 119009190
2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119002941
2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid
CID 119021689
2,4-dichloro-6-(difluoromethyl)-3-iodopyridine
CID 119020457
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119006565
6-(difluoromethyl)-2-fluoro-3-hydroxypyridine-4-carboxylic acid
CID 130079649
6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134666314
6-(difluoromethyl)-2,3-diiodopyridine-4-carboxamide
CID 130100741
6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 130105521
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carboxylic acid
CID 119021392
2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide
CID 119016503

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid (CID 119024451) is 2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid is O=C(O)c1cc(C(F)F)nc(Cl)c1I.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid?
The InChIKey is LVEMNDIKLQKVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2INO2/c8-5-4(11)2(7(13)14)1-3(12-5)6(9)10/h1,6H,(H,13,14).
What are the key properties of 2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid?
2-chloro-6-(difluoromethyl)-3-iodopyridine-4-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 2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid is sourced from PubChem (CID 119024451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).