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

C8H6ClF3INO — CID 130112811

IUPAC4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
SMILESCc1c(CCl)cc(I)nc1OC(F)(F)F
InChIInChI=1S/C8H6ClF3INO/c1-4-5(3-9)2-6(13)14-7(4)15-8(10,11)12/h2H,3H2,1H3
InChIKeyMQLIYUKSXJKPNC-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.63
Rot. Bonds2

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

4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine (PubChem CID 130112811) has the molecular formula C8H6ClF3INO and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
PubChem CID130112811
Molecular FormulaC8H6ClF3INO
Molecular Weight351.49 g/mol
Exact Mass350.91
IUPAC Name4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
SMILESCc1c(CCl)cc(I)nc1OC(F)(F)F
InChIInChI=1S/C8H6ClF3INO/c1-4-5(3-9)2-6(13)14-7(4)15-8(10,11)12/h2H,3H2,1H3
InChIKeyMQLIYUKSXJKPNC-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': '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

[4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130113258
2-[4-(chloromethyl)-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094654
4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 118851102
[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134680765
5-(chloromethyl)-6-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111282
6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130112786
[3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131527479
2-[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 134664580
3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine
CID 130883042
methyl 5-(chloromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134662960
2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134664641
2-[4-(fluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118840435

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine (CID 130112811) is 4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine is Cc1c(CCl)cc(I)nc1OC(F)(F)F.
What is the InChIKey of 4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine?
The InChIKey is MQLIYUKSXJKPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3INO/c1-4-5(3-9)2-6(13)14-7(4)15-8(10,11)12/h2H,3H2,1H3.
What are the key properties of 4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine?
4-(chloromethyl)-6-iodo-3-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 4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130112811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).