tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate

C12H15F3N2O3 — CID 155729088

IUPACtert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESCOc1ncc(C(F)(F)F)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H15F3N2O3/c1-11(2,3)20-10(18)17-8-5-7(12(13,14)15)6-16-9(8)19-4/h5-6H,1-4H3,(H,17,18)
InChIKeyYVGFOPDBVCYRQL-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.46
Rot. Bonds2

About tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate

tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate (PubChem CID 155729088) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate
PubChem CID155729088
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Nametert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESCOc1ncc(C(F)(F)F)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H15F3N2O3/c1-11(2,3)20-10(18)17-8-5-7(12(13,14)15)6-16-9(8)19-4/h5-6H,1-4H3,(H,17,18)
InChIKeyYVGFOPDBVCYRQL-UHFFFAOYSA-N
XLogP3.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 178148126
2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 535995
tert-butyl N-[2-iodo-5-(trifluoromethyl)phenyl]carbamate
CID 121016303
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
1-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53423580
tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate
CID 146200706
tert-butyl N-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]carbamate
CID 59149477
tert-butyl N-[2-amino-3-chloro-5-(trifluoromethyl)phenyl]carbamate
CID 54307366
tert-butyl N-[5-methoxy-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane
CID 156715354
tert-butyl N-[5-tert-butyl-3-[5-tert-butyl-2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-2-methoxyphenyl]carbamate
CID 102391021
tert-butyl N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
CID 163333240
tert-butyl N-[2,3-difluoro-5-(2-hydroxypropan-2-yl)phenyl]carbamate
CID 117113919

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate (CID 155729088) is tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate is COc1ncc(C(F)(F)F)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The InChIKey is YVGFOPDBVCYRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-11(2,3)20-10(18)17-8-5-7(12(13,14)15)6-16-9(8)19-4/h5-6H,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate?
tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate has a molecular weight of 292.26 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 155729088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).