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

C8H6F2INO2 — CID 118835162

IUPAC4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid
SMILESCc1c(I)ncc(C(=O)O)c1C(F)F
InChIInChI=1S/C8H6F2INO2/c1-3-5(6(9)10)4(8(13)14)2-12-7(3)11/h2,6H,1H3,(H,13,14)
InChIKeyBZYLVRHACTWXAP-UHFFFAOYSA-N
MW313.04 g/mol
LogP2.63
Rot. Bonds2

About 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid

4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid (PubChem CID 118835162) has the molecular formula C8H6F2INO2 and a molecular weight of 313.04 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid
PubChem CID118835162
Molecular FormulaC8H6F2INO2
Molecular Weight313.04 g/mol
Exact Mass312.94
IUPAC Name4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid
SMILESCc1c(I)ncc(C(=O)O)c1C(F)F
InChIInChI=1S/C8H6F2INO2/c1-3-5(6(9)10)4(8(13)14)2-12-7(3)11/h2,6H,1H3,(H,13,14)
InChIKeyBZYLVRHACTWXAP-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-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118995761
4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118829655
4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid
CID 118828922
4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118817666
ethyl 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100682
ethyl 4-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100691
3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid
CID 130082872
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile
CID 130077212
methyl 4-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylate
CID 130080326
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
CID 133101443
5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
CID 130068518

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid (CID 118835162) is 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid is Cc1c(I)ncc(C(=O)O)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid?
The InChIKey is BZYLVRHACTWXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO2/c1-3-5(6(9)10)4(8(13)14)2-12-7(3)11/h2,6H,1H3,(H,13,14).
What are the key properties of 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid?
4-(difluoromethyl)-6-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 4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 118835162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).