tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate

C12H17FN2O2 — CID 133063651

IUPACtert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
SMILESCN(Cc1cc(F)ccn1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15(4)8-10-7-9(13)5-6-14-10/h5-7H,8H2,1-4H3
InChIKeyDXILPSGONORSSJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate

tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate (PubChem CID 133063651) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
PubChem CID133063651
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Nametert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
SMILESCN(Cc1cc(F)ccn1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15(4)8-10-7-9(13)5-6-14-10/h5-7H,8H2,1-4H3
InChIKeyDXILPSGONORSSJ-UHFFFAOYSA-N
XLogP2.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(4-bromo-2-pyridinyl)methyl]-N-methylcarbamate
CID 133062977
tert-butyl N-[(5-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133059742
tert-butyl N-methyl-N-[(2-methylsulfanylpyrimidin-4-yl)methyl]carbamate
CID 140802489
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
tert-butyl N-[(6-chloro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133058135
tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate
CID 146282121
tert-butyl N-[[5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrol-3-yl]methyl]-N-methylcarbamate
CID 162519678
tert-butyl N-[(6-amino-3-pyridinyl)methyl]-N-methylcarbamate
CID 164526047
tert-butyl N-[(3-ethynyl-4-fluorophenyl)methyl]-N-methylcarbamate
CID 176508120
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate
CID 107246776
tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate
CID 58767142

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate (CID 133063651) is tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate is CN(Cc1cc(F)ccn1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate?
The InChIKey is DXILPSGONORSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15(4)8-10-7-9(13)5-6-14-10/h5-7H,8H2,1-4H3.
What are the key properties of tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate?
tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate has a molecular weight of 240.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 133063651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).