2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate

C10H8F3N3O3 — CID 174994003

IUPAC2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate
SMILESN#Cc1cc(C(F)(F)F)cnc1OCCOC(N)=O
InChIInChI=1S/C10H8F3N3O3/c11-10(12,13)7-3-6(4-14)8(16-5-7)18-1-2-19-9(15)17/h3,5H,1-2H2,(H2,15,17)
InChIKeyVRABTHYHJZFZIT-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.45
Rot. Bonds4

About 2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate

2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate (PubChem CID 174994003) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is 2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate.

Molecular Properties

Compound Name2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate
PubChem CID174994003
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Name2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate
SMILESN#Cc1cc(C(F)(F)F)cnc1OCCOC(N)=O
InChIInChI=1S/C10H8F3N3O3/c11-10(12,13)7-3-6(4-14)8(16-5-7)18-1-2-19-9(15)17/h3,5H,1-2H2,(H2,15,17)
InChIKeyVRABTHYHJZFZIT-UHFFFAOYSA-N
XLogP1.45
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate?
The IUPAC name of 2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate (CID 174994003) is 2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate.
What is the SMILES notation for 2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate?
The canonical SMILES for 2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate is N#Cc1cc(C(F)(F)F)cnc1OCCOC(N)=O.
What is the InChIKey of 2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate?
The InChIKey is VRABTHYHJZFZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c11-10(12,13)7-3-6(4-14)8(16-5-7)18-1-2-19-9(15)17/h3,5H,1-2H2,(H2,15,17).
What are the key properties of 2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate?
2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate has a molecular weight of 275.19 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl carbamate is sourced from PubChem (CID 174994003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).