5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine

C7H5F3IN — CID 130079918

IUPAC5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine
SMILESCc1c(F)ncc(C(F)F)c1I
InChIInChI=1S/C7H5F3IN/c1-3-5(11)4(6(8)9)2-12-7(3)10/h2,6H,1H3
InChIKeyJEAHJOCLFOECTB-UHFFFAOYSA-N
MW287.02 g/mol
LogP3.07
Rot. Bonds1

About 5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine

5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine (PubChem CID 130079918) has the molecular formula C7H5F3IN and a molecular weight of 287.02 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine
PubChem CID130079918
Molecular FormulaC7H5F3IN
Molecular Weight287.02 g/mol
Exact Mass286.94
IUPAC Name5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine
SMILESCc1c(F)ncc(C(F)F)c1I
InChIInChI=1S/C7H5F3IN/c1-3-5(11)4(6(8)9)2-12-7(3)10/h2,6H,1H3
InChIKeyJEAHJOCLFOECTB-UHFFFAOYSA-N
XLogP3.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.02
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-2-fluoro-3,4-diiodopyridine
CID 130100485
2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine
CID 118998609
4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine
CID 118840077
5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine
CID 133104534
5-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100477
5-(difluoromethyl)-2-fluoro-4-methylpyridin-3-amine
CID 130103932
5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
5-(difluoromethyl)-2-fluoro-4-methylpyridine-3-carbaldehyde
CID 130081163
5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde
CID 130086220
5-(difluoromethyl)-2-fluoro-6-iodo-3-methylpyridine
CID 130079920
3-(difluoromethyl)-2-fluoro-6-iodo-5-methylpyridine
CID 130079901
2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine
CID 130079888

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine?
The IUPAC name of 5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine (CID 130079918) is 5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine.
What is the SMILES notation for 5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine?
The canonical SMILES for 5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine is Cc1c(F)ncc(C(F)F)c1I.
What is the InChIKey of 5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine?
The InChIKey is JEAHJOCLFOECTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3IN/c1-3-5(11)4(6(8)9)2-12-7(3)10/h2,6H,1H3.
What are the key properties of 5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine?
5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine has a molecular weight of 287.02 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine is sourced from PubChem (CID 130079918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).