tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate

C11H14F3N3O2 — CID 118902581

IUPACtert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1c(N)ccnc1C(F)(F)F
InChIInChI=1S/C11H14F3N3O2/c1-10(2,3)19-9(18)17-7-6(15)4-5-16-8(7)11(12,13)14/h4-5H,1-3H3,(H2,15,16)(H,17,18)
InChIKeyWIDNAKQCFRQNOH-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.03
Rot. Bonds1

About tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate

tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate (PubChem CID 118902581) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate
PubChem CID118902581
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Nametert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1c(N)ccnc1C(F)(F)F
InChIInChI=1S/C11H14F3N3O2/c1-10(2,3)19-9(18)17-7-6(15)4-5-16-8(7)11(12,13)14/h4-5H,1-3H3,(H2,15,16)(H,17,18)
InChIKeyWIDNAKQCFRQNOH-UHFFFAOYSA-N
XLogP3.03
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate
CID 59553883
tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate
CID 135394494
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate
CID 83854419
tert-butyl N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130453693
tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155894591
4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
CID 175667065
tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate
CID 166932018
tert-butyl N-[2-amino-5-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 69487918
tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate
CID 11075458
tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate (CID 118902581) is tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1c(N)ccnc1C(F)(F)F.
What is the InChIKey of tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate?
The InChIKey is WIDNAKQCFRQNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-10(2,3)19-9(18)17-7-6(15)4-5-16-8(7)11(12,13)14/h4-5H,1-3H3,(H2,15,16)(H,17,18).
What are the key properties of tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate?
tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate has a molecular weight of 277.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 118902581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).