tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate

C11H14F2N2O3 — CID 175169131

IUPACtert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc(OC(F)F)c1
InChIInChI=1S/C11H14F2N2O3/c1-11(2,3)18-10(16)15-7-4-5-14-8(6-7)17-9(12)13/h4-6,9H,1-3H3,(H,14,15,16)
InChIKeyKSRLUEJQKHVWES-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.03
Rot. Bonds3

About tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate

tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate (PubChem CID 175169131) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate
PubChem CID175169131
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Nametert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc(OC(F)F)c1
InChIInChI=1S/C11H14F2N2O3/c1-11(2,3)18-10(16)15-7-4-5-14-8(6-7)17-9(12)13/h4-6,9H,1-3H3,(H,14,15,16)
InChIKeyKSRLUEJQKHVWES-UHFFFAOYSA-N
XLogP3.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(difluoromethoxy)-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]methyl]carbamate
CID 59461467
tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642
tert-butyl N-(2-ethynyl-4-pyridinyl)carbamate
CID 121231998
tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate
CID 156696295
tert-butyl N-[3,5-dichloro-4-(difluoromethoxy)phenyl]carbamate
CID 65142779
tert-butyl N-[2-[6-(difluoromethoxy)-4-methoxy-3-pyridinyl]-3-formyl-4-pyridinyl]carbamate
CID 171504533
tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
CID 167499959
tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate
CID 158060165
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
CID 91109215
tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
CID 133062095
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pent-2-enoic acid
CID 175357023

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate (CID 175169131) is tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccnc(OC(F)F)c1.
What is the InChIKey of tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate?
The InChIKey is KSRLUEJQKHVWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-11(2,3)18-10(16)15-7-4-5-14-8(6-7)17-9(12)13/h4-6,9H,1-3H3,(H,14,15,16).
What are the key properties of tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate?
tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate has a molecular weight of 260.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate is sourced from PubChem (CID 175169131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).