6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine

C8H6ClF3INO — CID 130112786

IUPAC6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine
SMILESCc1cc(CCl)nc(OC(F)(F)F)c1I
InChIInChI=1S/C8H6ClF3INO/c1-4-2-5(3-9)14-7(6(4)13)15-8(10,11)12/h2H,3H2,1H3
InChIKeyOVJKZFHYWGRHLJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.63
Rot. Bonds2

About 6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine

6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine (PubChem CID 130112786) has the molecular formula C8H6ClF3INO and a molecular weight of 351.49 g/mol. Its IUPAC name is 6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine
PubChem CID130112786
Molecular FormulaC8H6ClF3INO
Molecular Weight351.49 g/mol
Exact Mass350.91
IUPAC Name6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine
SMILESCc1cc(CCl)nc(OC(F)(F)F)c1I
InChIInChI=1S/C8H6ClF3INO/c1-4-2-5(3-9)14-7(6(4)13)15-8(10,11)12/h2H,3H2,1H3
InChIKeyOVJKZFHYWGRHLJ-UHFFFAOYSA-N
XLogP3.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.63
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

6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111265
4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 130112811
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681943
3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112791
ethyl 6-(chloromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681855
6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine
CID 134670317
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
2-[4-(chloromethyl)-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094654
2-[6-(aminomethyl)-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133085499
6-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672327
6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
CID 134666809
5-(chloromethyl)-6-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111282

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine?
The IUPAC name of 6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine (CID 130112786) is 6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine is Cc1cc(CCl)nc(OC(F)(F)F)c1I.
What is the InChIKey of 6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine?
The InChIKey is OVJKZFHYWGRHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3INO/c1-4-2-5(3-9)14-7(6(4)13)15-8(10,11)12/h2H,3H2,1H3.
What are the key properties of 6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine?
6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine has a molecular weight of 351.49 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130112786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).