4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride

C7H4BrClF3NO4S — CID 118850921

IUPAC4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCOc1cnc(OC(F)(F)F)c(S(=O)(=O)Cl)c1Br
InChIInChI=1S/C7H4BrClF3NO4S/c1-16-3-2-13-6(17-7(10,11)12)5(4(3)8)18(9,14)15/h2H,1H3
InChIKeyQSPFCXXFRMFUNX-UHFFFAOYSA-N
MW370.53 g/mol
LogP2.68
Rot. Bonds3

About 4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride

4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 118850921) has the molecular formula C7H4BrClF3NO4S and a molecular weight of 370.53 g/mol. Its IUPAC name is 4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID118850921
Molecular FormulaC7H4BrClF3NO4S
Molecular Weight370.53 g/mol
Exact Mass368.87
IUPAC Name4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESCOc1cnc(OC(F)(F)F)c(S(=O)(=O)Cl)c1Br
InChIInChI=1S/C7H4BrClF3NO4S/c1-16-3-2-13-6(17-7(10,11)12)5(4(3)8)18(9,14)15/h2H,1H3
InChIKeyQSPFCXXFRMFUNX-UHFFFAOYSA-N
XLogP2.68
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118822883
4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131319653
4-methyl-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134671215
4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134682371
5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134675645
4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134672889
4-chloro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118817072
4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118800492
4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131319656
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184
6-iodo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131333881
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridin-4-amine
CID 118800001

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 118850921) is 4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride is COc1cnc(OC(F)(F)F)c(S(=O)(=O)Cl)c1Br.
What is the InChIKey of 4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is QSPFCXXFRMFUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3NO4S/c1-16-3-2-13-6(17-7(10,11)12)5(4(3)8)18(9,14)15/h2H,1H3.
What are the key properties of 4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 370.53 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118850921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).