4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine

C8H4ClF5INO — CID 118829122

IUPAC4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
SMILESFC(F)c1cnc(I)c(OC(F)(F)F)c1CCl
InChIInChI=1S/C8H4ClF5INO/c9-1-3-4(6(10)11)2-16-7(15)5(3)17-8(12,13)14/h2,6H,1H2
InChIKeyTVUBPPXCNAEBMQ-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.26
Rot. Bonds3

About 4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine

4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine (PubChem CID 118829122) has the molecular formula C8H4ClF5INO and a molecular weight of 387.47 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
PubChem CID118829122
Molecular FormulaC8H4ClF5INO
Molecular Weight387.47 g/mol
Exact Mass386.89
IUPAC Name4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
SMILESFC(F)c1cnc(I)c(OC(F)(F)F)c1CCl
InChIInChI=1S/C8H4ClF5INO/c9-1-3-4(6(10)11)2-16-7(15)5(3)17-8(12,13)14/h2,6H,1H2
InChIKeyTVUBPPXCNAEBMQ-UHFFFAOYSA-N
XLogP4.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine
CID 119020474
ethyl 2-[4-(chloromethyl)-6-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661070
[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118855287
5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine
CID 130112860
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134660996
2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119019336
4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118801343
[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118999909
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
methyl 5-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661548
3-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134669064

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine (CID 118829122) is 4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine is FC(F)c1cnc(I)c(OC(F)(F)F)c1CCl.
What is the InChIKey of 4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine?
The InChIKey is TVUBPPXCNAEBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF5INO/c9-1-3-4(6(10)11)2-16-7(15)5(3)17-8(12,13)14/h2,6H,1H2.
What are the key properties of 4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine?
4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine has a molecular weight of 387.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118829122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).