6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride

C8H3Cl2F6NO3S — CID 118804467

IUPAC6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)c(OC(F)(F)F)c(CCl)n1
InChIInChI=1S/C8H3Cl2F6NO3S/c9-2-4-6(20-8(14,15)16)3(7(11,12)13)1-5(17-4)21(10,18)19/h1H,2H2
InChIKeyVOUKDEZLWPRFKQ-UHFFFAOYSA-N
MW378.08 g/mol
LogP3.67
Rot. Bonds3

About 6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride

6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride (PubChem CID 118804467) has the molecular formula C8H3Cl2F6NO3S and a molecular weight of 378.08 g/mol. Its IUPAC name is 6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
PubChem CID118804467
Molecular FormulaC8H3Cl2F6NO3S
Molecular Weight378.08 g/mol
Exact Mass376.91
IUPAC Name6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)c(OC(F)(F)F)c(CCl)n1
InChIInChI=1S/C8H3Cl2F6NO3S/c9-2-4-6(20-8(14,15)16)3(7(11,12)13)1-5(17-4)21(10,18)19/h1H,2H2
InChIKeyVOUKDEZLWPRFKQ-UHFFFAOYSA-N
XLogP3.67
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.08
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-cyano-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 118850653
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-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671081
6-(chloromethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134663474
[6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 133087725
2-[2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118826870
4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134672889
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084815
2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine
CID 134659693
4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 118845439
2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine
CID 118809105

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride (CID 118804467) is 6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)(F)F)c(OC(F)(F)F)c(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The InChIKey is VOUKDEZLWPRFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F6NO3S/c9-2-4-6(20-8(14,15)16)3(7(11,12)13)1-5(17-4)21(10,18)19/h1H,2H2.
What are the key properties of 6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride?
6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride has a molecular weight of 378.08 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 118804467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).