4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

C8H3Cl2F6NO3S — CID 134672889

IUPAC4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(OC(F)(F)F)ncc(C(F)(F)F)c1CCl
InChIInChI=1S/C8H3Cl2F6NO3S/c9-1-3-4(7(11,12)13)2-17-6(20-8(14,15)16)5(3)21(10,18)19/h2H,1H2
InChIKeyHRPSRRRFVASNQS-UHFFFAOYSA-N
MW378.08 g/mol
LogP3.67
Rot. Bonds3

About 4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 134672889) has the molecular formula C8H3Cl2F6NO3S and a molecular weight of 378.08 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID134672889
Molecular FormulaC8H3Cl2F6NO3S
Molecular Weight378.08 g/mol
Exact Mass376.91
IUPAC Name4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(OC(F)(F)F)ncc(C(F)(F)F)c1CCl
InChIInChI=1S/C8H3Cl2F6NO3S/c9-1-3-4(7(11,12)13)2-17-6(20-8(14,15)16)5(3)21(10,18)19/h2H,1H2
InChIKeyHRPSRRRFVASNQS-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-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134682371
5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134675645
methyl 2-[3-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134668053
4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134670035
4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118850921
4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118817072
5-(bromomethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134683104
4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134671215
4-(chloromethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134682429
4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134670036
4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118822883
methyl 2-[5-(chloromethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 134673172

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 134672889) is 4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1c(OC(F)(F)F)ncc(C(F)(F)F)c1CCl.
What is the InChIKey of 4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is HRPSRRRFVASNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F6NO3S/c9-1-3-4(7(11,12)13)2-17-6(20-8(14,15)16)5(3)21(10,18)19/h2H,1H2.
What are the key properties of 4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-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 4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134672889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).