[6-(trifluoromethyl)-3-pyridinyl] carbamate

C7H5F3N2O2 — CID 69179111

IUPAC[6-(trifluoromethyl)-3-pyridinyl] carbamate
SMILESNC(=O)Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)5-2-1-4(3-12-5)14-6(11)13/h1-3H,(H2,11,13)
InChIKeyUILQEYAOJIXDDG-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.56
Rot. Bonds1

About [6-(trifluoromethyl)-3-pyridinyl] carbamate

[6-(trifluoromethyl)-3-pyridinyl] carbamate (PubChem CID 69179111) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is [6-(trifluoromethyl)-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-(trifluoromethyl)-3-pyridinyl] carbamate
PubChem CID69179111
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name[6-(trifluoromethyl)-3-pyridinyl] carbamate
SMILESNC(=O)Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)5-2-1-4(3-12-5)14-6(11)13/h1-3H,(H2,11,13)
InChIKeyUILQEYAOJIXDDG-UHFFFAOYSA-N
XLogP1.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-tert-butyl-3-pyridinyl) carbamate
CID 175536069
[6-(trifluoromethyl)-3-pyridinyl]oxyboronic acid
CID 53302034
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
(6-formyl-3-pyridinyl) carbamate
CID 175352673
[6-(dimethylcarbamoyl)-3-pyridinyl] carbamate
CID 150452419
[6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate
CID 19765795
bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
bis[6-(trifluoromethyl)-3-pyridinyl] 4-butylcyclohexane-1,1-dicarboxylate
CID 57141422
3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutan-1-amine
CID 146203808
[3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate
CID 175412676
[6-(trifluoromethyl)-3-pyridinyl] 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate
CID 19765728
butyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 112725076

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-3-pyridinyl] carbamate?
The IUPAC name of [6-(trifluoromethyl)-3-pyridinyl] carbamate (CID 69179111) is [6-(trifluoromethyl)-3-pyridinyl] carbamate.
What is the SMILES notation for [6-(trifluoromethyl)-3-pyridinyl] carbamate?
The canonical SMILES for [6-(trifluoromethyl)-3-pyridinyl] carbamate is NC(=O)Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of [6-(trifluoromethyl)-3-pyridinyl] carbamate?
The InChIKey is UILQEYAOJIXDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)5-2-1-4(3-12-5)14-6(11)13/h1-3H,(H2,11,13).
What are the key properties of [6-(trifluoromethyl)-3-pyridinyl] carbamate?
[6-(trifluoromethyl)-3-pyridinyl] carbamate has a molecular weight of 206.12 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-3-pyridinyl] carbamate is sourced from PubChem (CID 69179111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).