2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine

C7H7F3N2O2S — CID 176830597

IUPAC2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine
SMILESO=S(O)NC(c1ccccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)6(12-15(13)14)5-3-1-2-4-11-5/h1-4,6,12H,(H,13,14)
InChIKeyDIXLEBOVAGVKPO-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.41
Rot. Bonds3

About 2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine

2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine (PubChem CID 176830597) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine.

Molecular Properties

Compound Name2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine
PubChem CID176830597
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine
SMILESO=S(O)NC(c1ccccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)6(12-15(13)14)5-3-1-2-4-11-5/h1-4,6,12H,(H,13,14)
InChIKeyDIXLEBOVAGVKPO-UHFFFAOYSA-N
XLogP1.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102484760
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CID 174447442
2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
(2,2,2-trifluoro-1-pyridin-2-ylethyl)azanide
CID 154488282
1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 77095074
4-(1,2,4-triazol-4-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide
CID 99949555
N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide
CID 102416830
3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid
CID 116953575
4,4,4-trifluoro-3-pyridin-2-ylbutanoic acid
CID 82534716
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102512777
2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide
CID 131946893
1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 77083070

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine?
The IUPAC name of 2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine (CID 176830597) is 2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine.
What is the SMILES notation for 2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine?
The canonical SMILES for 2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine is O=S(O)NC(c1ccccn1)C(F)(F)F.
What is the InChIKey of 2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine?
The InChIKey is DIXLEBOVAGVKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)6(12-15(13)14)5-3-1-2-4-11-5/h1-4,6,12H,(H,13,14).
What are the key properties of 2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine?
2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine has a molecular weight of 240.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine is sourced from PubChem (CID 176830597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).