4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride

C8H7ClF3NO4S — CID 131319656

IUPAC4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)nc(OC(F)(F)F)c1C
InChIInChI=1S/C8H7ClF3NO4S/c1-4-5(16-2)3-6(18(9,14)15)13-7(4)17-8(10,11)12/h3H,1-2H3
InChIKeyPOSOJTUJNXVHDQ-UHFFFAOYSA-N
MW305.66 g/mol
LogP2.22
Rot. Bonds3

About 4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride

4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 131319656) has the molecular formula C8H7ClF3NO4S and a molecular weight of 305.66 g/mol. Its IUPAC name is 4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID131319656
Molecular FormulaC8H7ClF3NO4S
Molecular Weight305.66 g/mol
Exact Mass304.97
IUPAC Name4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)nc(OC(F)(F)F)c1C
InChIInChI=1S/C8H7ClF3NO4S/c1-4-5(16-2)3-6(18(9,14)15)13-7(4)17-8(10,11)12/h3H,1-2H3
InChIKeyPOSOJTUJNXVHDQ-UHFFFAOYSA-N
XLogP2.22
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131315423
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671418
6-iodo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131333881
6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131314313
4-amino-5-iodo-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 118845439
4-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118800492
4-(aminomethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134659450
4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118850921
3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131369994
5-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131346999
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride
CID 118854766
4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134659446

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 131319656) is 4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride is COc1cc(S(=O)(=O)Cl)nc(OC(F)(F)F)c1C.
What is the InChIKey of 4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is POSOJTUJNXVHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO4S/c1-4-5(16-2)3-6(18(9,14)15)13-7(4)17-8(10,11)12/h3H,1-2H3.
What are the key properties of 4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride has a molecular weight of 305.66 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 131319656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).