4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride

C6H3ClF3IN2O3S — CID 118845439

IUPAC4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESNc1cc(S(=O)(=O)Cl)nc(OC(F)(F)F)c1I
InChIInChI=1S/C6H3ClF3IN2O3S/c7-17(14,15)3-1-2(12)4(11)5(13-3)16-6(8,9)10/h1H,(H2,12,13)
InChIKeyUTOINNMQMNFILI-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.09
Rot. Bonds2

About 4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride

4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 118845439) has the molecular formula C6H3ClF3IN2O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID118845439
Molecular FormulaC6H3ClF3IN2O3S
Molecular Weight402.52 g/mol
Exact Mass401.85
IUPAC Name4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESNc1cc(S(=O)(=O)Cl)nc(OC(F)(F)F)c1I
InChIInChI=1S/C6H3ClF3IN2O3S/c7-17(14,15)3-1-2(12)4(11)5(13-3)16-6(8,9)10/h1H,(H2,12,13)
InChIKeyUTOINNMQMNFILI-UHFFFAOYSA-N
XLogP2.09
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134659450
4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131319656
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131315423
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671418
3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131369994
4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride
CID 118806455
6-iodo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131333881
5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134663235
6-(aminomethyl)-3-fluoro-2-(trifluoromethoxy)pyridin-4-amine
CID 118833524
6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 118804467
4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 118850653
6-(aminomethyl)-3-chloro-2-(trifluoromethoxy)pyridin-4-amine
CID 133085760

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 118845439) is 4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride is Nc1cc(S(=O)(=O)Cl)nc(OC(F)(F)F)c1I.
What is the InChIKey of 4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is UTOINNMQMNFILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3IN2O3S/c7-17(14,15)3-1-2(12)4(11)5(13-3)16-6(8,9)10/h1H,(H2,12,13).
What are the key properties of 4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride has a molecular weight of 402.52 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 118845439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).