tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate

C11H14F2N2O3 — CID 168982050

IUPACtert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccn(C(F)F)c(=O)c1
InChIInChI=1S/C11H14F2N2O3/c1-11(2,3)18-10(17)14-7-4-5-15(9(12)13)8(16)6-7/h4-6,9H,1-3H3,(H,14,17)
InChIKeyPURLURGLTZKJJM-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate

tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate (PubChem CID 168982050) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate
PubChem CID168982050
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Nametert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccn(C(F)F)c(=O)c1
InChIInChI=1S/C11H14F2N2O3/c1-11(2,3)18-10(17)14-7-4-5-15(9(12)13)8(16)6-7/h4-6,9H,1-3H3,(H,14,17)
InChIKeyPURLURGLTZKJJM-UHFFFAOYSA-N
XLogP2.59
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-fluoro-2-oxo-1,2-dihydropyridin-4-ylcarbamate
CID 118622100
Tert-butyl 1-(4-azido-3-fluorobutyl)-3-fluoro-2-oxo-1,2-dihydropyridin-4-ylcarbamate
CID 118622386
tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
CID 118622440
tert-butyl N-[2-methylidene-1-[methyl(trifluoromethyl)amino]pyridin-4-yl]carbamate
CID 134368471
tert-butyl N-[1-(4-amino-3-fluorobutyl)-3-fluoro-2-oxo-4-pyridinyl]carbamate
CID 144993331
tert-butyl N-(5-fluoro-1-methyl-2-oxo-4-pyridinyl)carbamate
CID 168982313
tert-butyl N-(5-fluoro-2-oxo-1H-pyridin-4-yl)-N-methylcarbamate
CID 177301397
2,2,2-trifluoroethyl N-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)carbamate
CID 50988992
2,2,2-trifluoroethyl N-(1-ethyl-6-oxo-1,6-dihydropyridin-3-yl)carbamate
CID 52908166
2,2,2-trifluoroethyl N-(6-oxo-1-propyl-1,6-dihydropyridin-3-yl)carbamate
CID 53619598
tert-butyl 5-amino-2-fluoro-2H-pyridine-1-carboxylate
CID 71435489
tert-Butyl (1-(difluoromethyl)-6-oxo-1,6-dihydropyridin-3-yl)carbamate
CID 119004624

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate (CID 168982050) is tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccn(C(F)F)c(=O)c1.
What is the InChIKey of tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate?
The InChIKey is PURLURGLTZKJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-11(2,3)18-10(17)14-7-4-5-15(9(12)13)8(16)6-7/h4-6,9H,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate?
tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate has a molecular weight of 260.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(difluoromethyl)-2-oxo-4-pyridinyl]carbamate is sourced from PubChem (CID 168982050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).