tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate

C13H17ClN2O3 — CID 166161006

IUPACtert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2cc(Cl)ccn2)COC1
InChIInChI=1S/C13H17ClN2O3/c1-12(2,3)19-11(17)16-13(7-18-8-13)10-6-9(14)4-5-15-10/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKeyZZGDZVMTXKTLMN-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.49
Rot. Bonds2

About tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate

tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate (PubChem CID 166161006) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate
PubChem CID166161006
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Nametert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2cc(Cl)ccn2)COC1
InChIInChI=1S/C13H17ClN2O3/c1-12(2,3)19-11(17)16-13(7-18-8-13)10-6-9(14)4-5-15-10/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKeyZZGDZVMTXKTLMN-UHFFFAOYSA-N
XLogP2.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(4-aminopyrimidin-2-yl)oxetan-3-yl]carbamate
CID 166160967
tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate
CID 129242449
tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate
CID 118542732
tert-butyl N-[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamate
CID 66606109
tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
CID 46318089
tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate
CID 138554710
tert-butyl N-(4-chloro-2-pyridinyl)carbamate;ethyl formate
CID 161046296
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoic acid
CID 172639068
tert-butyl 3-(2-chloro-5-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carboxylate
CID 166608371
tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate
CID 141105169
tert-butyl N-[1-[2-(azidomethyl)-4-chlorophenyl]cyclopropyl]carbamate
CID 142690590

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate (CID 166161006) is tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate is CC(C)(C)OC(=O)NC1(c2cc(Cl)ccn2)COC1.
What is the InChIKey of tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate?
The InChIKey is ZZGDZVMTXKTLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-12(2,3)19-11(17)16-13(7-18-8-13)10-6-9(14)4-5-15-10/h4-6H,7-8H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate?
tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate has a molecular weight of 284.74 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate is sourced from PubChem (CID 166161006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).