2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine

C8H8F2IN — CID 130101179

IUPAC2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine
SMILESCc1cnc(C(F)F)c(I)c1C
InChIInChI=1S/C8H8F2IN/c1-4-3-12-7(8(9)10)6(11)5(4)2/h3,8H,1-2H3
InChIKeyRKLJRGIYGJWBQG-UHFFFAOYSA-N
MW283.06 g/mol
LogP3.24
Rot. Bonds1

About 2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine

2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine (PubChem CID 130101179) has the molecular formula C8H8F2IN and a molecular weight of 283.06 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine
PubChem CID130101179
Molecular FormulaC8H8F2IN
Molecular Weight283.06 g/mol
Exact Mass282.97
IUPAC Name2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine
SMILESCc1cnc(C(F)F)c(I)c1C
InChIInChI=1S/C8H8F2IN/c1-4-3-12-7(8(9)10)6(11)5(4)2/h3,8H,1-2H3
InChIKeyRKLJRGIYGJWBQG-UHFFFAOYSA-N
XLogP3.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.06
LogP ≤ 53.24
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)-5-fluoro-3-iodo-4-methylpyridine
CID 130079888
4-(bromomethyl)-2-(difluoromethyl)-3-iodo-5-methylpyridine
CID 130086022
2-(difluoromethyl)-4-iodo-5-methylpyridin-3-amine
CID 130105197
2-(difluoromethyl)-4-iodo-5-methylpyridine-3-carbonitrile
CID 130077201
5-(bromomethyl)-2-(difluoromethyl)-4-iodo-3-methylpyridine
CID 130086035
4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine
CID 118840077
[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol
CID 118832165
5-chloro-2-(difluoromethyl)-3,4-diiodopyridine
CID 130100445
6-(difluoromethyl)-4,5-diiodopyridin-3-ol
CID 118843088
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile
CID 130077203
2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine
CID 118998609
[3-chloro-2-(difluoromethyl)-5-methyl-4-pyridinyl]methanamine
CID 118829811

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine?
The IUPAC name of 2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine (CID 130101179) is 2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine.
What is the SMILES notation for 2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine?
The canonical SMILES for 2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine is Cc1cnc(C(F)F)c(I)c1C.
What is the InChIKey of 2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine?
The InChIKey is RKLJRGIYGJWBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2IN/c1-4-3-12-7(8(9)10)6(11)5(4)2/h3,8H,1-2H3.
What are the key properties of 2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine?
2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine has a molecular weight of 283.06 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine is sourced from PubChem (CID 130101179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).