4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride

C8H4ClF3INO2 — CID 118816215

IUPAC4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESCc1nc(C(=O)Cl)cc(I)c1OC(F)(F)F
InChIInChI=1S/C8H4ClF3INO2/c1-3-6(16-8(10,11)12)4(13)2-5(14-3)7(9)15/h2H,1H3
InChIKeySYRDAQDROVRTKT-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.27
Rot. Bonds2

About 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride

4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride (PubChem CID 118816215) has the molecular formula C8H4ClF3INO2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
PubChem CID118816215
Molecular FormulaC8H4ClF3INO2
Molecular Weight365.48 g/mol
Exact Mass364.89
IUPAC Name4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESCc1nc(C(=O)Cl)cc(I)c1OC(F)(F)F
InChIInChI=1S/C8H4ClF3INO2/c1-3-6(16-8(10,11)12)4(13)2-5(14-3)7(9)15/h2H,1H3
InChIKeySYRDAQDROVRTKT-UHFFFAOYSA-N
XLogP3.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660206
[4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118827484
5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134679365
methyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134679723
4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118827397
ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663138
6-methoxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134679364
4-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111068
5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride
CID 118810426
4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113003
2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134675816
4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118839226

Frequently Asked Questions

What is the IUPAC name of 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The IUPAC name of 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride (CID 118816215) is 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride.
What is the SMILES notation for 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The canonical SMILES for 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride is Cc1nc(C(=O)Cl)cc(I)c1OC(F)(F)F.
What is the InChIKey of 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The InChIKey is SYRDAQDROVRTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3INO2/c1-3-6(16-8(10,11)12)4(13)2-5(14-3)7(9)15/h2H,1H3.
What are the key properties of 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride?
4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride has a molecular weight of 365.48 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride is sourced from PubChem (CID 118816215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).