tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate

C11H14F2N2O2 — CID 177301285

IUPACtert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(F)nc(F)c1
InChIInChI=1S/C11H14F2N2O2/c1-11(2,3)17-10(16)15(4)7-5-8(12)14-9(13)6-7/h5-6H,1-4H3
InChIKeyFSAXSZKRTADKQG-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.73
Rot. Bonds1

About tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate

tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate (PubChem CID 177301285) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
PubChem CID177301285
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Nametert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(F)nc(F)c1
InChIInChI=1S/C11H14F2N2O2/c1-11(2,3)17-10(16)15(4)7-5-8(12)14-9(13)6-7/h5-6H,1-4H3
InChIKeyFSAXSZKRTADKQG-UHFFFAOYSA-N
XLogP2.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.73
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-methylcarbamate
CID 101072166
tert-butyl N-methyl-N-(2,3,4,5,6-pentafluorophenyl)carbamate
CID 172558948
tert-butyl N-[4-[2-(6-fluoro-2-pyridinyl)ethenyl]phenyl]-N-methylcarbamate
CID 77426720
tert-butyl N-[2-fluoro-6-(1-fluorocyclopropyl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 178118318
tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate
CID 89243683
tert-butyl N-(1-benzothiophen-6-yl)-N-methylcarbamate
CID 68856186
tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate
CID 160630611
tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate
CID 118480309
tert-butyl N-[4-hydroxy-3-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 174502211
tert-butyl N-(4-isocyano-3,5-dimethoxyphenyl)-N-methylcarbamate
CID 177120836
CID 145175450
CID 145175450
tert-butyl N-(1H-indol-5-yl)-N-methylcarbamate
CID 121004439

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate (CID 177301285) is tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(F)nc(F)c1.
What is the InChIKey of tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate?
The InChIKey is FSAXSZKRTADKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-11(2,3)17-10(16)15(4)7-5-8(12)14-9(13)6-7/h5-6H,1-4H3.
What are the key properties of tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate?
tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate has a molecular weight of 244.24 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 177301285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).