3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine

C7H5F2I2NO — CID 130100515

IUPAC3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
SMILESCOc1c(I)cnc(I)c1C(F)F
InChIInChI=1S/C7H5F2I2NO/c1-13-5-3(10)2-12-7(11)4(5)6(8)9/h2,6H,1H3
InChIKeyNVZIVDNPJGEULK-UHFFFAOYSA-N
MW410.93 g/mol
LogP3.24
Rot. Bonds2

About 3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine

3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine (PubChem CID 130100515) has the molecular formula C7H5F2I2NO and a molecular weight of 410.93 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
PubChem CID130100515
Molecular FormulaC7H5F2I2NO
Molecular Weight410.93 g/mol
Exact Mass410.84
IUPAC Name3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
SMILESCOc1c(I)cnc(I)c1C(F)F
InChIInChI=1S/C7H5F2I2NO/c1-13-5-3(10)2-12-7(11)4(5)6(8)9/h2,6H,1H3
InChIKeyNVZIVDNPJGEULK-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile
CID 130077171
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378
2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine
CID 118821401
4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
CID 133101443
[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]methanol
CID 118831773
4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
CID 130085587
3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine
CID 130072984
[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine
CID 130085536
4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118840777
3-(difluoromethyl)-2-iodo-4-methoxypyridine
CID 130096639
4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
CID 130100457
2-[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]acetonitrile
CID 118814830

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine?
The IUPAC name of 3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine (CID 130100515) is 3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine.
What is the SMILES notation for 3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine?
The canonical SMILES for 3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine is COc1c(I)cnc(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine?
The InChIKey is NVZIVDNPJGEULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2I2NO/c1-13-5-3(10)2-12-7(11)4(5)6(8)9/h2,6H,1H3.
What are the key properties of 3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine?
3-(difluoromethyl)-2,5-diiodo-4-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 3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine is sourced from PubChem (CID 130100515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).