5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride

C8H5ClF6N2O3S — CID 134675645

IUPAC5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESNCc1cnc(OC(F)(F)F)c(S(=O)(=O)Cl)c1C(F)(F)F
InChIInChI=1S/C8H5ClF6N2O3S/c9-21(18,19)5-4(7(10,11)12)3(1-16)2-17-6(5)20-8(13,14)15/h2H,1,16H2
InChIKeyOUQHVVSIEGYBPE-UHFFFAOYSA-N
MW358.65 g/mol
LogP2.39
Rot. Bonds3

About 5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride

5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 134675645) has the molecular formula C8H5ClF6N2O3S and a molecular weight of 358.65 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID134675645
Molecular FormulaC8H5ClF6N2O3S
Molecular Weight358.65 g/mol
Exact Mass357.96
IUPAC Name5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESNCc1cnc(OC(F)(F)F)c(S(=O)(=O)Cl)c1C(F)(F)F
InChIInChI=1S/C8H5ClF6N2O3S/c9-21(18,19)5-4(7(10,11)12)3(1-16)2-17-6(5)20-8(13,14)15/h2H,1,16H2
InChIKeyOUQHVVSIEGYBPE-UHFFFAOYSA-N
XLogP2.39
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084836
4-(aminomethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134659450
4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134672889
4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134670036
5-(bromomethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134683104
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
ethyl 2-[5-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 134661682
5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084823
4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134682371
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134682315
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086175

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 134675645) is 5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride is NCc1cnc(OC(F)(F)F)c(S(=O)(=O)Cl)c1C(F)(F)F.
What is the InChIKey of 5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is OUQHVVSIEGYBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF6N2O3S/c9-21(18,19)5-4(7(10,11)12)3(1-16)2-17-6(5)20-8(13,14)15/h2H,1,16H2.
What are the key properties of 5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride?
5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 358.65 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134675645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).