5-(difluoromethoxy)-2-iodo-3-methylpyridine

C7H6F2INO — CID 172531797

IUPAC5-(difluoromethoxy)-2-iodo-3-methylpyridine
SMILESCc1cc(OC(F)F)cnc1I
InChIInChI=1S/C7H6F2INO/c1-4-2-5(12-7(8)9)3-11-6(4)10/h2-3,7H,1H3
InChIKeySBNFNVOUXZLDNZ-UHFFFAOYSA-N
MW285.03 g/mol
LogP2.60
Rot. Bonds2

About 5-(difluoromethoxy)-2-iodo-3-methylpyridine

5-(difluoromethoxy)-2-iodo-3-methylpyridine (PubChem CID 172531797) has the molecular formula C7H6F2INO and a molecular weight of 285.03 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-iodo-3-methylpyridine.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-iodo-3-methylpyridine
PubChem CID172531797
Molecular FormulaC7H6F2INO
Molecular Weight285.03 g/mol
Exact Mass284.95
IUPAC Name5-(difluoromethoxy)-2-iodo-3-methylpyridine
SMILESCc1cc(OC(F)F)cnc1I
InChIInChI=1S/C7H6F2INO/c1-4-2-5(12-7(8)9)3-11-6(4)10/h2-3,7H,1H3
InChIKeySBNFNVOUXZLDNZ-UHFFFAOYSA-N
XLogP2.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 52.60
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-(difluoromethoxy)-2,3-dimethylpyridine
CID 130882921
5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine
CID 68857309
5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine
CID 68858921
5-(difluoromethoxy)-2,3-dimethylpyridine;5-(difluoromethyl)-2-methylpyridine
CID 177043341
5-(difluoromethoxy)-2,3-difluoropyridine
CID 130925292
4-(difluoromethoxy)-2,6-dimethylaniline;hydrochloride
CID 117071645
5-(difluoromethoxy)pyrimidin-2-amine
CID 139417201
2-tert-butyl-5-(difluoromethoxy)pyrimidine
CID 58088060
1,4-bis(difluoromethoxy)-2-methylbenzene
CID 71140593
5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane
CID 169118529
1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone
CID 178156503
(1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol
CID 124503154

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2-iodo-3-methylpyridine?
The IUPAC name of 5-(difluoromethoxy)-2-iodo-3-methylpyridine (CID 172531797) is 5-(difluoromethoxy)-2-iodo-3-methylpyridine.
What is the SMILES notation for 5-(difluoromethoxy)-2-iodo-3-methylpyridine?
The canonical SMILES for 5-(difluoromethoxy)-2-iodo-3-methylpyridine is Cc1cc(OC(F)F)cnc1I.
What is the InChIKey of 5-(difluoromethoxy)-2-iodo-3-methylpyridine?
The InChIKey is SBNFNVOUXZLDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO/c1-4-2-5(12-7(8)9)3-11-6(4)10/h2-3,7H,1H3.
What are the key properties of 5-(difluoromethoxy)-2-iodo-3-methylpyridine?
5-(difluoromethoxy)-2-iodo-3-methylpyridine has a molecular weight of 285.03 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-iodo-3-methylpyridine is sourced from PubChem (CID 172531797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).