tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate

C13H18F2N2O3 — CID 158060165

IUPACtert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)cc(OCC(F)F)n1
InChIInChI=1S/C13H18F2N2O3/c1-8-5-9(17-12(18)20-13(2,3)4)6-11(16-8)19-7-10(14)15/h5-6,10H,7H2,1-4H3,(H,16,17,18)
InChIKeyYREGNIXUTMFOLN-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.38
Rot. Bonds4

About tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate

tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate (PubChem CID 158060165) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate
PubChem CID158060165
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Nametert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)cc(OCC(F)F)n1
InChIInChI=1S/C13H18F2N2O3/c1-8-5-9(17-12(18)20-13(2,3)4)6-11(16-8)19-7-10(14)15/h5-6,10H,7H2,1-4H3,(H,16,17,18)
InChIKeyYREGNIXUTMFOLN-UHFFFAOYSA-N
XLogP3.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate
CID 177331060
tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate
CID 175169131
tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate
CID 177332343
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-[3-(2,2-difluoroethoxy)-4-pyridinyl]carbamate
CID 170730754
tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
CID 122648326
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[3,5-dichloro-4-(difluoromethoxy)phenyl]carbamate
CID 65142779
tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate
CID 22033548
tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate
CID 156696295

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate (CID 158060165) is tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate is Cc1cc(NC(=O)OC(C)(C)C)cc(OCC(F)F)n1.
What is the InChIKey of tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate?
The InChIKey is YREGNIXUTMFOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-8-5-9(17-12(18)20-13(2,3)4)6-11(16-8)19-7-10(14)15/h5-6,10H,7H2,1-4H3,(H,16,17,18).
What are the key properties of tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate?
tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate has a molecular weight of 288.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate is sourced from PubChem (CID 158060165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).