3,4-difluoro-2-iodo-5-methoxypyridine

C6H4F2INO — CID 174954888

IUPAC3,4-difluoro-2-iodo-5-methoxypyridine
SMILESCOc1cnc(I)c(F)c1F
InChIInChI=1S/C6H4F2INO/c1-11-3-2-10-6(9)5(8)4(3)7/h2H,1H3
InChIKeyPRIIXYWIWWIGRN-UHFFFAOYSA-N
MW271.00 g/mol
LogP1.97
Rot. Bonds1

About 3,4-difluoro-2-iodo-5-methoxypyridine

3,4-difluoro-2-iodo-5-methoxypyridine (PubChem CID 174954888) has the molecular formula C6H4F2INO and a molecular weight of 271.00 g/mol. Its IUPAC name is 3,4-difluoro-2-iodo-5-methoxypyridine.

Molecular Properties

Compound Name3,4-difluoro-2-iodo-5-methoxypyridine
PubChem CID174954888
Molecular FormulaC6H4F2INO
Molecular Weight271.00 g/mol
Exact Mass270.93
IUPAC Name3,4-difluoro-2-iodo-5-methoxypyridine
SMILESCOc1cnc(I)c(F)c1F
InChIInChI=1S/C6H4F2INO/c1-11-3-2-10-6(9)5(8)4(3)7/h2H,1H3
InChIKeyPRIIXYWIWWIGRN-UHFFFAOYSA-N
XLogP1.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.00
LogP ≤ 51.97
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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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-iodo-5-methoxypyridine?
The IUPAC name of 3,4-difluoro-2-iodo-5-methoxypyridine (CID 174954888) is 3,4-difluoro-2-iodo-5-methoxypyridine.
What is the SMILES notation for 3,4-difluoro-2-iodo-5-methoxypyridine?
The canonical SMILES for 3,4-difluoro-2-iodo-5-methoxypyridine is COc1cnc(I)c(F)c1F.
What is the InChIKey of 3,4-difluoro-2-iodo-5-methoxypyridine?
The InChIKey is PRIIXYWIWWIGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2INO/c1-11-3-2-10-6(9)5(8)4(3)7/h2H,1H3.
What are the key properties of 3,4-difluoro-2-iodo-5-methoxypyridine?
3,4-difluoro-2-iodo-5-methoxypyridine has a molecular weight of 271.00 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-iodo-5-methoxypyridine is sourced from PubChem (CID 174954888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).