tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate

C15H21F3N2O4 — CID 69221542

IUPACtert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate
SMILESCOc1nc(C(F)(F)F)cc(CO)c1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H21F3N2O4/c1-14(2,3)24-13(22)19-6-5-10-9(8-21)7-11(15(16,17)18)20-12(10)23-4/h7,21H,5-6,8H2,1-4H3,(H,19,22)
InChIKeyJSXFDYJPJZMHAK-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.67
Rot. Bonds5

About tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate

tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate (PubChem CID 69221542) has the molecular formula C15H21F3N2O4 and a molecular weight of 350.34 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate
PubChem CID69221542
Molecular FormulaC15H21F3N2O4
Molecular Weight350.34 g/mol
Exact Mass350.15
IUPAC Nametert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate
SMILESCOc1nc(C(F)(F)F)cc(CO)c1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H21F3N2O4/c1-14(2,3)24-13(22)19-6-5-10-9(8-21)7-11(15(16,17)18)20-12(10)23-4/h7,21H,5-6,8H2,1-4H3,(H,19,22)
InChIKeyJSXFDYJPJZMHAK-UHFFFAOYSA-N
XLogP2.67
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate
CID 122536420
[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 134662303
tert-butyl N-[[5-(aminomethyl)-6-methoxy-4-methyl-2-pyridinyl]methyl]carbamate
CID 67951653
tert-butyl N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enyl]carbamate
CID 170490429
tert-butyl N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;ethane
CID 145136282
tert-butyl N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]carbamate
CID 546504
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate
CID 91107429
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 169148889
tert-butyl N-[3-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]carbamate
CID 39733664

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate (CID 69221542) is tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate is COc1nc(C(F)(F)F)cc(CO)c1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate?
The InChIKey is JSXFDYJPJZMHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O4/c1-14(2,3)24-13(22)19-6-5-10-9(8-21)7-11(15(16,17)18)20-12(10)23-4/h7,21H,5-6,8H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate?
tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate has a molecular weight of 350.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(hydroxymethyl)-2-methoxy-6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate is sourced from PubChem (CID 69221542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).