tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate

C11H15FN2O2 — CID 101072166

IUPACtert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cccc(F)n1
InChIInChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14(4)9-7-5-6-8(12)13-9/h5-7H,1-4H3
InChIKeyVZOXJNKQHRQBEA-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.59
Rot. Bonds1

About tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate

tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate (PubChem CID 101072166) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate
PubChem CID101072166
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Nametert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cccc(F)n1
InChIInChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14(4)9-7-5-6-8(12)13-9/h5-7H,1-4H3
InChIKeyVZOXJNKQHRQBEA-UHFFFAOYSA-N
XLogP2.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 58402559
tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
CID 58695834
tert-butyl N-[4-[2-(6-fluoro-2-pyridinyl)ethenyl]phenyl]-N-methylcarbamate
CID 77426720
tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl N-[6-(2-aminoethyl)-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate
CID 58230679
tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate
CID 23625857
4-[[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]methyl]piperidine-1-carboxylic acid
CID 90994258
tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate
CID 59750257
1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 79386016
tert-butyl N-methyl-N-(2,3,4,5,6-pentafluorophenyl)carbamate
CID 172558948
tert-butyl N-(2-fluoro-6-nitrophenyl)-N-methylcarbamate
CID 171544361
tert-butyl N-(4-acetyl-2-pyridinyl)-N-methylcarbamate
CID 70946479

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate (CID 101072166) is tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cccc(F)n1.
What is the InChIKey of tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate?
The InChIKey is VZOXJNKQHRQBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14(4)9-7-5-6-8(12)13-9/h5-7H,1-4H3.
What are the key properties of tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate?
tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate has a molecular weight of 226.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 101072166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).