6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride

C8H6ClF5N2O2S — CID 133084808

IUPAC6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESNCc1cc(C(F)F)c(S(=O)(=O)Cl)c(C(F)(F)F)n1
InChIInChI=1S/C8H6ClF5N2O2S/c9-19(17,18)5-4(7(10)11)1-3(2-15)16-6(5)8(12,13)14/h1,7H,2,15H2
InChIKeyGQBOTVJLHQAURI-UHFFFAOYSA-N
MW324.66 g/mol
LogP2.42
Rot. Bonds3

About 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride

6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 133084808) has the molecular formula C8H6ClF5N2O2S and a molecular weight of 324.66 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID133084808
Molecular FormulaC8H6ClF5N2O2S
Molecular Weight324.66 g/mol
Exact Mass323.98
IUPAC Name6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESNCc1cc(C(F)F)c(S(=O)(=O)Cl)c(C(F)(F)F)n1
InChIInChI=1S/C8H6ClF5N2O2S/c9-19(17,18)5-4(7(10)11)1-3(2-15)16-6(5)8(12,13)14/h1,7H,2,15H2
InChIKeyGQBOTVJLHQAURI-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

4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118852322
3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084830
3-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084824
4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118829538
6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118837901
6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride
CID 133084777
[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 130069997
4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride
CID 118817447
[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118842676
6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130086999
5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084836
6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 118849387

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 133084808) is 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride is NCc1cc(C(F)F)c(S(=O)(=O)Cl)c(C(F)(F)F)n1.
What is the InChIKey of 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is GQBOTVJLHQAURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2O2S/c9-19(17,18)5-4(7(10)11)1-3(2-15)16-6(5)8(12,13)14/h1,7H,2,15H2.
What are the key properties of 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
6-(aminomethyl)-4-(difluoromethyl)-2-(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)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 133084808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).