6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide

C8H7F2IN2O2 — CID 118854435

IUPAC6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide
SMILESCOc1c(C(N)=O)cnc(C(F)F)c1I
InChIInChI=1S/C8H7F2IN2O2/c1-15-6-3(8(12)14)2-13-5(4(6)11)7(9)10/h2,7H,1H3,(H2,12,14)
InChIKeyADBBQFGUHBYRBK-UHFFFAOYSA-N
MW328.06 g/mol
LogP1.73
Rot. Bonds3

About 6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide

6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide (PubChem CID 118854435) has the molecular formula C8H7F2IN2O2 and a molecular weight of 328.06 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide
PubChem CID118854435
Molecular FormulaC8H7F2IN2O2
Molecular Weight328.06 g/mol
Exact Mass327.95
IUPAC Name6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide
SMILESCOc1c(C(N)=O)cnc(C(F)F)c1I
InChIInChI=1S/C8H7F2IN2O2/c1-15-6-3(8(12)14)2-13-5(4(6)11)7(9)10/h2,7H,1H3,(H2,12,14)
InChIKeyADBBQFGUHBYRBK-UHFFFAOYSA-N
XLogP1.73
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.06
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide
CID 118806222
4-(difluoromethyl)-5-iodo-6-methoxypyridine-3-carboxamide
CID 118846499
5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid
CID 133085041
2-(difluoromethyl)-3,5-dimethoxypyridine-4-carboxamide
CID 118837482
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride
CID 118829154
2-(difluoromethyl)-3-iodo-6-methoxypyridine-4-carboxamide
CID 118837244
2-(difluoromethyl)-5-iodopyridine-3-carboxamide
CID 118837602
6-(difluoromethyl)-5-hydroxy-4-methylpyridine-3-carboxamide
CID 130084161
6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride
CID 133105551
methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate
CID 130086264
methyl 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylate
CID 130087629
[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]methanol
CID 118831773

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide?
The IUPAC name of 6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide (CID 118854435) is 6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide is COc1c(C(N)=O)cnc(C(F)F)c1I.
What is the InChIKey of 6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide?
The InChIKey is ADBBQFGUHBYRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IN2O2/c1-15-6-3(8(12)14)2-13-5(4(6)11)7(9)10/h2,7H,1H3,(H2,12,14).
What are the key properties of 6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide?
6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide has a molecular weight of 328.06 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 118854435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).