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

C8H3ClF6INO — CID 118810105

IUPAC2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cnc(CCl)c(I)c1C(F)(F)F
InChIInChI=1S/C8H3ClF6INO/c9-1-3-6(16)5(7(10,11)12)4(2-17-3)18-8(13,14)15/h2H,1H2
InChIKeyWUYQUUZGGVUWES-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.34
Rot. Bonds2

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

2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 118810105) has the molecular formula C8H3ClF6INO and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
PubChem CID118810105
Molecular FormulaC8H3ClF6INO
Molecular Weight405.46 g/mol
Exact Mass404.89
IUPAC Name2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cnc(CCl)c(I)c1C(F)(F)F
InChIInChI=1S/C8H3ClF6INO/c9-1-3-6(16)5(7(10,11)12)4(2-17-3)18-8(13,14)15/h2H,1H2
InChIKeyWUYQUUZGGVUWES-UHFFFAOYSA-N
XLogP4.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671232
[3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130113245
2-[4-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134659116
3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667272
2-(bromomethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134671574
2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134678704
5-(chloromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 130092462
2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine
CID 118804265
2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134676595
methyl 6-(chloromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134667015
2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134672699
ethyl 2-[3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134660056

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (CID 118810105) is 2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is FC(F)(F)Oc1cnc(CCl)c(I)c1C(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is WUYQUUZGGVUWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF6INO/c9-1-3-6(16)5(7(10,11)12)4(2-17-3)18-8(13,14)15/h2H,1H2.
What are the key properties of 2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 405.46 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 118810105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).