tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate

C13H17ClN2O2 — CID 129242449

IUPACtert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2cnccc2Cl)CC1
InChIInChI=1S/C13H17ClN2O2/c1-12(2,3)18-11(17)16-13(5-6-13)9-8-15-7-4-10(9)14/h4,7-8H,5-6H2,1-3H3,(H,16,17)
InChIKeyNAORNTQOIDRWFP-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.25
Rot. Bonds2

About tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate

tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate (PubChem CID 129242449) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate
PubChem CID129242449
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Nametert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2cnccc2Cl)CC1
InChIInChI=1S/C13H17ClN2O2/c1-12(2,3)18-11(17)16-13(5-6-13)9-8-15-7-4-10(9)14/h4,7-8H,5-6H2,1-3H3,(H,16,17)
InChIKeyNAORNTQOIDRWFP-UHFFFAOYSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(1-chlorocyclopropyl)-4-pyridinyl]carbamate
CID 171497546
tert-butyl N-[2-(4-chloro-3-pyridinyl)ethyl]carbamate
CID 141078611
tert-butyl N-[1-(3-amino-4-pyridinyl)-3-methylcyclohexyl]carbamate
CID 174727068
tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
CID 53216208
tert-butyl 3-(2-chloro-5-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carboxylate
CID 166608371
tert-butyl N-[(3R)-3-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]carbamate
CID 118542732
tert-butyl N-[3-(4-chloro-2-pyridinyl)oxetan-3-yl]carbamate
CID 166161006
tert-butyl N-[1-(2-chlorophenyl)-2,3-dihydroxycyclopentyl]carbamate
CID 139573264
tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate
CID 141105169
tert-butyl N-(2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)carbamate
CID 171624143
tert-butyl N-[1-[2-(azidomethyl)-4-chlorophenyl]cyclopropyl]carbamate
CID 142690590
tert-butyl N-[1-[4-(3-chloro-5-nitro-2-pyridinyl)phenyl]cyclopropyl]carbamate
CID 140840550

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate (CID 129242449) is tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(c2cnccc2Cl)CC1.
What is the InChIKey of tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate?
The InChIKey is NAORNTQOIDRWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-12(2,3)18-11(17)16-13(5-6-13)9-8-15-7-4-10(9)14/h4,7-8H,5-6H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate?
tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate has a molecular weight of 268.74 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-chloro-3-pyridinyl)cyclopropyl]carbamate is sourced from PubChem (CID 129242449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).