2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride

C8H4ClF3INO3 — CID 134675816

IUPAC2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
SMILESCOc1c(C(=O)Cl)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C8H4ClF3INO3/c1-16-5-3(6(9)15)2-4(14-7(5)13)17-8(10,11)12/h2H,1H3
InChIKeyPHSKWQIFGOFNGW-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.97
Rot. Bonds3

About 2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride

2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride (PubChem CID 134675816) has the molecular formula C8H4ClF3INO3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
PubChem CID134675816
Molecular FormulaC8H4ClF3INO3
Molecular Weight381.48 g/mol
Exact Mass380.89
IUPAC Name2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
SMILESCOc1c(C(=O)Cl)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C8H4ClF3INO3/c1-16-5-3(6(9)15)2-4(14-7(5)13)17-8(10,11)12/h2H,1H3
InChIKeyPHSKWQIFGOFNGW-UHFFFAOYSA-N
XLogP2.97
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134675739
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134677123
4-methoxy-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118816254
ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 134679532
ethyl 2-[2-iodo-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134664656
4-iodo-3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666974
2-iodo-3-nitro-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134678317
5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134679365
3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134677673
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride?
The IUPAC name of 2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride (CID 134675816) is 2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride.
What is the SMILES notation for 2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride?
The canonical SMILES for 2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride is COc1c(C(=O)Cl)cc(OC(F)(F)F)nc1I.
What is the InChIKey of 2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride?
The InChIKey is PHSKWQIFGOFNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3INO3/c1-16-5-3(6(9)15)2-4(14-7(5)13)17-8(10,11)12/h2H,1H3.
What are the key properties of 2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride?
2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride has a molecular weight of 381.48 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride is sourced from PubChem (CID 134675816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).