tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate

C11H13ClF2N2O3 — CID 177331060

IUPACtert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)nc(OC(F)F)c1
InChIInChI=1S/C11H13ClF2N2O3/c1-11(2,3)19-10(17)15-6-4-7(12)16-8(5-6)18-9(13)14/h4-5,9H,1-3H3,(H,15,16,17)
InChIKeyIQOKLJPHYUQNJW-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.68
Rot. Bonds3

About tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate

tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate (PubChem CID 177331060) has the molecular formula C11H13ClF2N2O3 and a molecular weight of 294.69 g/mol. Its IUPAC name is tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate
PubChem CID177331060
Molecular FormulaC11H13ClF2N2O3
Molecular Weight294.69 g/mol
Exact Mass294.06
IUPAC Nametert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)nc(OC(F)F)c1
InChIInChI=1S/C11H13ClF2N2O3/c1-11(2,3)19-10(17)15-6-4-7(12)16-8(5-6)18-9(13)14/h4-5,9H,1-3H3,(H,15,16,17)
InChIKeyIQOKLJPHYUQNJW-UHFFFAOYSA-N
XLogP3.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3,5-dichloro-4-(difluoromethoxy)phenyl]carbamate
CID 65142779
tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate
CID 175169131
tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate
CID 156696295
tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate
CID 158060165
tert-butyl N-[3-chloro-5-(chloromethyl)phenyl]carbamate
CID 117236621
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 133057700
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-[4-(difluoromethoxy)-2,5-difluorophenyl]carbamate
CID 177334338
tert-butyl N-(4-chloro-3-fluoro-5-formylphenyl)carbamate
CID 84810125
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate (CID 177331060) is tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cc(Cl)nc(OC(F)F)c1.
What is the InChIKey of tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate?
The InChIKey is IQOKLJPHYUQNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O3/c1-11(2,3)19-10(17)15-6-4-7(12)16-8(5-6)18-9(13)14/h4-5,9H,1-3H3,(H,15,16,17).
What are the key properties of tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate?
tert-butyl N-[2-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate has a molecular weight of 294.69 g/mol, XLogP of 3.68, 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-chloro-6-(difluoromethoxy)-4-pyridinyl]carbamate is sourced from PubChem (CID 177331060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).