4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine

C8H4ClF5IN — CID 130087399

IUPAC4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(CCl)c(I)c(C(F)(F)F)n1
InChIInChI=1S/C8H4ClF5IN/c9-2-3-1-4(7(10)11)16-6(5(3)15)8(12,13)14/h1,7H,2H2
InChIKeyRXYXAKDGCVQEBG-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.38
Rot. Bonds2

About 4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine

4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine (PubChem CID 130087399) has the molecular formula C8H4ClF5IN and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
PubChem CID130087399
Molecular FormulaC8H4ClF5IN
Molecular Weight371.47 g/mol
Exact Mass370.90
IUPAC Name4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(CCl)c(I)c(C(F)(F)F)n1
InChIInChI=1S/C8H4ClF5IN/c9-2-3-1-4(7(10)11)16-6(5(3)15)8(12,13)14/h1,7H,2H2
InChIKeyRXYXAKDGCVQEBG-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829
ethyl 2-[4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 133100264
2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130072471
4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 118824321
methyl 6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133100965
3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
CID 130108097
4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079502
4-chloro-2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine
CID 130073192
6-(difluoromethyl)-4-fluoro-3-methyl-2-(trifluoromethyl)pyridine
CID 133105555
4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
CID 119010652
[6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol
CID 133104348
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082138

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine (CID 130087399) is 4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine is FC(F)c1cc(CCl)c(I)c(C(F)(F)F)n1.
What is the InChIKey of 4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine?
The InChIKey is RXYXAKDGCVQEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF5IN/c9-2-3-1-4(7(10)11)16-6(5(3)15)8(12,13)14/h1,7H,2H2.
What are the key properties of 4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine?
4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine has a molecular weight of 371.47 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 130087399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).