6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

C8H6ClF5N2O2S — CID 118837911

IUPAC6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESNCc1ncc(S(=O)(=O)Cl)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H6ClF5N2O2S/c9-19(17,18)4-2-16-3(1-15)6(8(12,13)14)5(4)7(10)11/h2,7H,1,15H2
InChIKeyKWTJDNDNVCTEQD-UHFFFAOYSA-N
MW324.66 g/mol
LogP2.42
Rot. Bonds3

About 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 118837911) has the molecular formula C8H6ClF5N2O2S and a molecular weight of 324.66 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID118837911
Molecular FormulaC8H6ClF5N2O2S
Molecular Weight324.66 g/mol
Exact Mass323.98
IUPAC Name6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESNCc1ncc(S(=O)(=O)Cl)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H6ClF5N2O2S/c9-19(17,18)4-2-16-3(1-15)6(8(12,13)14)5(4)7(10)11/h2,7H,1,15H2
InChIKeyKWTJDNDNVCTEQD-UHFFFAOYSA-N
XLogP2.42
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.66
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084823
2-(aminomethyl)-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 134673245
5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084836
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonyl chloride
CID 130105042
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086983
[3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118831112
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
CID 130099934
6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103695
2-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 118832290
2-(chloromethyl)-4-(difluoromethyl)-5-iodo-3-(trifluoromethyl)pyridine
CID 118804340
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134682315

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 118837911) is 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride is NCc1ncc(S(=O)(=O)Cl)c(C(F)F)c1C(F)(F)F.
What is the InChIKey of 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is KWTJDNDNVCTEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2O2S/c9-19(17,18)4-2-16-3(1-15)6(8(12,13)14)5(4)7(10)11/h2,7H,1,15H2.
What are the key properties of 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 324.66 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118837911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).