6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid

C8H6F2INO2 — CID 118815145

IUPAC6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(I)nc1C(F)F
InChIInChI=1S/C8H6F2INO2/c1-3-2-4(8(13)14)7(11)12-5(3)6(9)10/h2,6H,1H3,(H,13,14)
InChIKeyUPANHCHULLUJJB-UHFFFAOYSA-N
MW313.04 g/mol
LogP2.63
Rot. Bonds2

About 6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid

6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid (PubChem CID 118815145) has the molecular formula C8H6F2INO2 and a molecular weight of 313.04 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid
PubChem CID118815145
Molecular FormulaC8H6F2INO2
Molecular Weight313.04 g/mol
Exact Mass312.94
IUPAC Name6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(I)nc1C(F)F
InChIInChI=1S/C8H6F2INO2/c1-3-2-4(8(13)14)7(11)12-5(3)6(9)10/h2,6H,1H3,(H,13,14)
InChIKeyUPANHCHULLUJJB-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'}

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Related Compounds

6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylic acid
CID 118809209
2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid
CID 118837565
2-(difluoromethyl)-5-fluoro-6-iodo-3-methylpyridine
CID 130079892
6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxamide
CID 130086462
2-[6-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetic acid
CID 118848636
6-(difluoromethyl)-2-fluoro-5-methylpyridine-3-carboxamide
CID 118814860
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate
CID 130086271
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid
CID 118831600
ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate
CID 133106006
3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid
CID 130105526

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid (CID 118815145) is 6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(I)nc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid?
The InChIKey is UPANHCHULLUJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO2/c1-3-2-4(8(13)14)7(11)12-5(3)6(9)10/h2,6H,1H3,(H,13,14).
What are the key properties of 6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid?
6-(difluoromethyl)-2-iodo-5-methylpyridine-3-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-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 118815145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).