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

C7H5F3IN — CID 130079888

IUPAC2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine
SMILESCc1c(F)cnc(C(F)F)c1I
InChIInChI=1S/C7H5F3IN/c1-3-4(8)2-12-6(5(3)11)7(9)10/h2,7H,1H3
InChIKeyINIGRPADANYMNK-UHFFFAOYSA-N
MW287.02 g/mol
LogP3.07
Rot. Bonds1

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

2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine (PubChem CID 130079888) has the molecular formula C7H5F3IN and a molecular weight of 287.02 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine
PubChem CID130079888
Molecular FormulaC7H5F3IN
Molecular Weight287.02 g/mol
Exact Mass286.94
IUPAC Name2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine
SMILESCc1c(F)cnc(C(F)F)c1I
InChIInChI=1S/C7H5F3IN/c1-3-4(8)2-12-6(5(3)11)7(9)10/h2,7H,1H3
InChIKeyINIGRPADANYMNK-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine
CID 130101179
[2-(difluoromethyl)-5-fluoro-3-methyl-4-pyridinyl]methanamine
CID 130080922
2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride
CID 118837859
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde
CID 118854258
4-(bromomethyl)-2-(difluoromethyl)-3-iodo-5-methylpyridine
CID 130086022
5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine
CID 130086035
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
CID 130075915
2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carbaldehyde
CID 118803644
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carboxylic acid
CID 118837564
2-(difluoromethyl)-3,5-difluoropyridin-4-amine
CID 118812171
5-chloro-2-(difluoromethyl)-3,4-diiodopyridine
CID 130100445
6-(difluoromethyl)-4,5-diiodopyridin-3-ol
CID 118843088

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine?
The IUPAC name of 2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine (CID 130079888) is 2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine?
The canonical SMILES for 2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine is Cc1c(F)cnc(C(F)F)c1I.
What is the InChIKey of 2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine?
The InChIKey is INIGRPADANYMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3IN/c1-3-4(8)2-12-6(5(3)11)7(9)10/h2,7H,1H3.
What are the key properties of 2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine?
2-(difluoromethyl)-5-fluoro-3-iodo-4-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 2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine is sourced from PubChem (CID 130079888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).