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

C8H5ClF6N2O3S — CID 134670036

IUPAC4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESNCc1c(OC(F)(F)F)cnc(C(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H5ClF6N2O3S/c9-21(18,19)5-3(1-16)4(20-8(13,14)15)2-17-6(5)7(10,11)12/h2H,1,16H2
InChIKeyZASKHJKZFFKBAS-UHFFFAOYSA-N
MW358.65 g/mol
LogP2.39
Rot. Bonds3

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

4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 134670036) has the molecular formula C8H5ClF6N2O3S and a molecular weight of 358.65 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID134670036
Molecular FormulaC8H5ClF6N2O3S
Molecular Weight358.65 g/mol
Exact Mass357.96
IUPAC Name4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESNCc1c(OC(F)(F)F)cnc(C(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C8H5ClF6N2O3S/c9-21(18,19)5-3(1-16)4(20-8(13,14)15)2-17-6(5)7(10,11)12/h2H,1,16H2
InChIKeyZASKHJKZFFKBAS-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

3-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672534
4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 119001282
5-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134675645
[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134662772
ethyl 3-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134682897
2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131468991
4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134670035
[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118835408
[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571676
4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
CID 131612340
4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol
CID 134665598
4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131319653

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 134670036) is 4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride is NCc1c(OC(F)(F)F)cnc(C(F)(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is ZASKHJKZFFKBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF6N2O3S/c9-21(18,19)5-3(1-16)4(20-8(13,14)15)2-17-6(5)7(10,11)12/h2H,1,16H2.
What are the key properties of 4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride?
4-(aminomethyl)-5-(trifluoromethoxy)-2-(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 4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 134670036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).