2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine

C7H5F3IN — CID 130096732

IUPAC2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine
SMILESFCc1c(I)ccnc1C(F)F
InChIInChI=1S/C7H5F3IN/c8-3-4-5(11)1-2-12-6(4)7(9)10/h1-2,7H,3H2
InChIKeyCEVOITGZVVWXNH-UHFFFAOYSA-N
MW287.02 g/mol
LogP3.09
Rot. Bonds2

About 2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine

2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine (PubChem CID 130096732) has the molecular formula C7H5F3IN and a molecular weight of 287.02 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine
PubChem CID130096732
Molecular FormulaC7H5F3IN
Molecular Weight287.02 g/mol
Exact Mass286.94
IUPAC Name2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine
SMILESFCc1c(I)ccnc1C(F)F
InChIInChI=1S/C7H5F3IN/c8-3-4-5(11)1-2-12-6(4)7(9)10/h1-2,7H,3H2
InChIKeyCEVOITGZVVWXNH-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.02
LogP ≤ 53.09
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-(fluoromethyl)pyridine-4-carbonitrile
CID 130095973
[2-(difluoromethyl)-4-methyl-3-pyridinyl]methanamine
CID 130097549
2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol
CID 130097081
[2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130096431
3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130098061
4-(aminomethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130097022
2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
CID 130096758
4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine
CID 130094718
ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134673374
3-(bromomethyl)-2-(difluoromethyl)-4-methoxypyridine
CID 130097365
2-[4-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134683944
[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine
CID 118801498

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine?
The IUPAC name of 2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine (CID 130096732) is 2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine.
What is the SMILES notation for 2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine?
The canonical SMILES for 2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine is FCc1c(I)ccnc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine?
The InChIKey is CEVOITGZVVWXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3IN/c8-3-4-5(11)1-2-12-6(4)7(9)10/h1-2,7H,3H2.
What are the key properties of 2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine?
2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine has a molecular weight of 287.02 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine is sourced from PubChem (CID 130096732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).