3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine

C7H4ClF3INO — CID 130883042

IUPAC3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine
SMILESCc1nc(OC(F)(F)F)c(I)cc1Cl
InChIInChI=1S/C7H4ClF3INO/c1-3-4(8)2-5(12)6(13-3)14-7(9,10)11/h2H,1H3
InChIKeyMAEPKYRTXMXFDC-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.55
Rot. Bonds1

About 3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine

3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine (PubChem CID 130883042) has the molecular formula C7H4ClF3INO and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine
PubChem CID130883042
Molecular FormulaC7H4ClF3INO
Molecular Weight337.47 g/mol
Exact Mass336.90
IUPAC Name3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine
SMILESCc1nc(OC(F)(F)F)c(I)cc1Cl
InChIInChI=1S/C7H4ClF3INO/c1-3-4(8)2-5(12)6(13-3)14-7(9,10)11/h2H,1H3
InChIKeyMAEPKYRTXMXFDC-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112945
3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine
CID 130112551
3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
CID 130112677
methyl 5-iodo-6-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664730
4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 130112811
2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine
CID 130984923
3-bromo-6-chloro-4-iodo-2-(trifluoromethoxy)pyridine
CID 130934949
3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131369994
4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 118851102
4-chloro-6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine
CID 118822584
3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine
CID 130960982
methyl 5-iodo-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659054

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine?
The IUPAC name of 3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine (CID 130883042) is 3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine is Cc1nc(OC(F)(F)F)c(I)cc1Cl.
What is the InChIKey of 3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine?
The InChIKey is MAEPKYRTXMXFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO/c1-3-4(8)2-5(12)6(13-3)14-7(9,10)11/h2H,1H3.
What are the key properties of 3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine?
3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine has a molecular weight of 337.47 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130883042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).