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

C7H5F3IN — CID 118840077

IUPAC4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine
SMILESCc1cnc(F)c(I)c1C(F)F
InChIInChI=1S/C7H5F3IN/c1-3-2-12-7(10)5(11)4(3)6(8)9/h2,6H,1H3
InChIKeyBHWGXVQQCQCFFO-UHFFFAOYSA-N
MW287.02 g/mol
LogP3.07
Rot. Bonds1

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

4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine (PubChem CID 118840077) has the molecular formula C7H5F3IN and a molecular weight of 287.02 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine
PubChem CID118840077
Molecular FormulaC7H5F3IN
Molecular Weight287.02 g/mol
Exact Mass286.94
IUPAC Name4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine
SMILESCc1cnc(F)c(I)c1C(F)F
InChIInChI=1S/C7H5F3IN/c1-3-2-12-7(10)5(11)4(3)6(8)9/h2,6H,1H3
InChIKeyBHWGXVQQCQCFFO-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-4-iodo-3-methylpyridine
CID 130079918
4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde
CID 118818484
4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine
CID 118822414
[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]methanamine
CID 130085961
5-(difluoromethyl)-2-fluoro-3,4-diiodopyridine
CID 130100485
2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine
CID 130101179
2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
CID 130080364
4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine
CID 118845695
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine
CID 130081038
5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine
CID 130071565
5-(difluoromethyl)-6-fluoro-4-iodopyridin-3-ol
CID 130079220
5-(difluoromethyl)-6-fluoro-4-iodopyridin-3-amine
CID 130103870

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine?
The IUPAC name of 4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine (CID 118840077) is 4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine.
What is the SMILES notation for 4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine?
The canonical SMILES for 4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine is Cc1cnc(F)c(I)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine?
The InChIKey is BHWGXVQQCQCFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3IN/c1-3-2-12-7(10)5(11)4(3)6(8)9/h2,6H,1H3.
What are the key properties of 4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine?
4-(difluoromethyl)-2-fluoro-3-iodo-5-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 4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine is sourced from PubChem (CID 118840077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).