6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide

C8H7F2IN2O2 — CID 130085884

IUPAC6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(F)F)nc(C(N)=O)c1I
InChIInChI=1S/C8H7F2IN2O2/c1-15-4-2-3(7(9)10)13-6(5(4)11)8(12)14/h2,7H,1H3,(H2,12,14)
InChIKeyRWZNCLUCZCXYRH-UHFFFAOYSA-N
MW328.06 g/mol
LogP1.73
Rot. Bonds3

About 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide

6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide (PubChem CID 130085884) has the molecular formula C8H7F2IN2O2 and a molecular weight of 328.06 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide
PubChem CID130085884
Molecular FormulaC8H7F2IN2O2
Molecular Weight328.06 g/mol
Exact Mass327.95
IUPAC Name6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(F)F)nc(C(N)=O)c1I
InChIInChI=1S/C8H7F2IN2O2/c1-15-4-2-3(7(9)10)13-6(5(4)11)8(12)14/h2,7H,1H3,(H2,12,14)
InChIKeyRWZNCLUCZCXYRH-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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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide (CID 130085884) is 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide is COc1cc(C(F)F)nc(C(N)=O)c1I.
What is the InChIKey of 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide?
The InChIKey is RWZNCLUCZCXYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IN2O2/c1-15-4-2-3(7(9)10)13-6(5(4)11)8(12)14/h2,7H,1H3,(H2,12,14).
What are the key properties of 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide?
6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-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)-3-iodo-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 130085884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).