5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride

C8H6ClF5N2O2S — CID 133084815

IUPAC5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
SMILESNCc1c(C(F)(F)F)cc(S(=O)(=O)Cl)nc1C(F)F
InChIInChI=1S/C8H6ClF5N2O2S/c9-19(17,18)5-1-4(8(12,13)14)3(2-15)6(16-5)7(10)11/h1,7H,2,15H2
InChIKeyOZFQQSZXBGBOIX-UHFFFAOYSA-N
MW324.66 g/mol
LogP2.42
Rot. Bonds3

About 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride

5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride (PubChem CID 133084815) has the molecular formula C8H6ClF5N2O2S and a molecular weight of 324.66 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
PubChem CID133084815
Molecular FormulaC8H6ClF5N2O2S
Molecular Weight324.66 g/mol
Exact Mass323.98
IUPAC Name5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
SMILESNCc1c(C(F)(F)F)cc(S(=O)(=O)Cl)nc1C(F)F
InChIInChI=1S/C8H6ClF5N2O2S/c9-19(17,18)5-1-4(8(12,13)14)3(2-15)6(16-5)7(10)11/h1,7H,2,15H2
InChIKeyOZFQQSZXBGBOIX-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)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 133084782
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107147
4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130099502
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118852322
3-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084824
6-(difluoromethyl)-4,5-difluoropyridine-2-sulfonyl chloride
CID 130099948
5-amino-4-bromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130102315
6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride
CID 118815349
2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671561
5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 134664079
3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084830
4-(aminomethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134659450

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride (CID 133084815) is 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride is NCc1c(C(F)(F)F)cc(S(=O)(=O)Cl)nc1C(F)F.
What is the InChIKey of 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride?
The InChIKey is OZFQQSZXBGBOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2O2S/c9-19(17,18)5-1-4(8(12,13)14)3(2-15)6(16-5)7(10)11/h1,7H,2,15H2.
What are the key properties of 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride?
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-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 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 133084815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).