tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate

C14H18BrClN2O3 — CID 58548593

IUPACtert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Oc2nc(Cl)ccc2Br)C1
InChIInChI=1S/C14H18BrClN2O3/c1-14(2,3)21-13(19)17-8-6-9(7-8)20-12-10(15)4-5-11(16)18-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,19)
InChIKeyGUADNHMEFFQAHU-UHFFFAOYSA-N
MW377.67 g/mol
LogP3.93
Rot. Bonds3

About tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate

tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate (PubChem CID 58548593) has the molecular formula C14H18BrClN2O3 and a molecular weight of 377.67 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate
PubChem CID58548593
Molecular FormulaC14H18BrClN2O3
Molecular Weight377.67 g/mol
Exact Mass376.02
IUPAC Nametert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Oc2nc(Cl)ccc2Br)C1
InChIInChI=1S/C14H18BrClN2O3/c1-14(2,3)21-13(19)17-8-6-9(7-8)20-12-10(15)4-5-11(16)18-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,19)
InChIKeyGUADNHMEFFQAHU-UHFFFAOYSA-N
XLogP3.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.67
LogP ≤ 53.93
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-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamate
CID 175870913
tert-butyl N-[3-(3-bromo-4-chloroanilino)cyclobutyl]carbamate
CID 80560979
tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
CID 107597184
tert-butyl N-[4-(2,5-dibromoanilino)cyclohexyl]carbamate
CID 103715445
tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate
CID 165144141
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid
CID 175849779
tert-butyl N-[(1S,3R)-3-[(2-bromo-6-propyl-3-pyridinyl)oxy]cyclopentyl]carbamate
CID 166147913
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110
tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate
CID 169188311
tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl N-(3-pyrimidin-2-yloxycyclobutyl)carbamate;3-pyrimidin-2-yloxycyclobutan-1-amine
CID 159693420
tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate
CID 80559539
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate (CID 58548593) is tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Oc2nc(Cl)ccc2Br)C1.
What is the InChIKey of tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate?
The InChIKey is GUADNHMEFFQAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O3/c1-14(2,3)21-13(19)17-8-6-9(7-8)20-12-10(15)4-5-11(16)18-12/h4-5,8-9H,6-7H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate?
tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate has a molecular weight of 377.67 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate is sourced from PubChem (CID 58548593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).