tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate

C13H16Cl2N2O2 — CID 91247310

IUPACtert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-13(2,3)19-12(18)17-10-5-8(10)11-9(15)4-7(14)6-16-11/h4,6,8,10H,5H2,1-3H3,(H,17,18)
InChIKeyUYSXQIVDYAXYSY-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.77
Rot. Bonds2

About tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate

tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate (PubChem CID 91247310) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate
PubChem CID91247310
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Nametert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-13(2,3)19-12(18)17-10-5-8(10)11-9(15)4-7(14)6-16-11/h4,6,8,10H,5H2,1-3H3,(H,17,18)
InChIKeyUYSXQIVDYAXYSY-UHFFFAOYSA-N
XLogP3.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
CID 141045838
tert-butyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 76555314
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
CID 103759373
tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate
CID 78057434
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate
CID 86794465
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
tert-butyl N-[(1R,2S)-2-(4-aminophenyl)cyclopropyl]carbamate
CID 86673140
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265
tert-butyl N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]carbamate
CID 172878388
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate (CID 91247310) is tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1c1ncc(Cl)cc1Cl.
What is the InChIKey of tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate?
The InChIKey is UYSXQIVDYAXYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-13(2,3)19-12(18)17-10-5-8(10)11-9(15)4-7(14)6-16-11/h4,6,8,10H,5H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate?
tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate has a molecular weight of 303.19 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate is sourced from PubChem (CID 91247310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).