6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine

C7H5F2I2NO — CID 130100522

IUPAC6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine
SMILESCOc1nc(C(F)F)cc(I)c1I
InChIInChI=1S/C7H5F2I2NO/c1-13-7-5(11)3(10)2-4(12-7)6(8)9/h2,6H,1H3
InChIKeyPYEHIAIQOXEWOH-UHFFFAOYSA-N
MW410.93 g/mol
LogP3.24
Rot. Bonds2

About 6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine

6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine (PubChem CID 130100522) has the molecular formula C7H5F2I2NO and a molecular weight of 410.93 g/mol. Its IUPAC name is 6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine
PubChem CID130100522
Molecular FormulaC7H5F2I2NO
Molecular Weight410.93 g/mol
Exact Mass410.84
IUPAC Name6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine
SMILESCOc1nc(C(F)F)cc(I)c1I
InChIInChI=1S/C7H5F2I2NO/c1-13-7-5(11)3(10)2-4(12-7)6(8)9/h2,6H,1H3
InChIKeyPYEHIAIQOXEWOH-UHFFFAOYSA-N
XLogP3.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(difluoromethyl)-3,4-diiodopyridine-2-carboxylate
CID 134664181
ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133101552
6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine
CID 130079854
3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine
CID 130109372
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine
CID 130073717
[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]methanamine
CID 130073730
6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
CID 130100962
4-cyclopropyl-6-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 177024630
4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylic acid
CID 118818405
4-bromo-6-(difluoromethyl)-2-methoxypyridine-3-sulfonamide
CID 118850937
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
CID 118822488
6-(difluoromethyl)-3-fluoro-2-methoxypyridine-4-carbonyl chloride
CID 133105557

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine?
The IUPAC name of 6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine (CID 130100522) is 6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine.
What is the SMILES notation for 6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine?
The canonical SMILES for 6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine is COc1nc(C(F)F)cc(I)c1I.
What is the InChIKey of 6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine?
The InChIKey is PYEHIAIQOXEWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2I2NO/c1-13-7-5(11)3(10)2-4(12-7)6(8)9/h2,6H,1H3.
What are the key properties of 6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine?
6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine has a molecular weight of 410.93 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine is sourced from PubChem (CID 130100522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).