tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate

C13H19ClN2O3 — CID 87687103

IUPACtert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate
SMILESCC(CO)N(C(=O)OC(C)(C)C)c1cccc(Cl)n1
InChIInChI=1S/C13H19ClN2O3/c1-9(8-17)16(12(18)19-13(2,3)4)11-7-5-6-10(14)15-11/h5-7,9,17H,8H2,1-4H3
InChIKeyZNWVVBSYYSKIIO-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.86
Rot. Bonds3

About tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate

tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate (PubChem CID 87687103) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate
PubChem CID87687103
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Nametert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate
SMILESCC(CO)N(C(=O)OC(C)(C)C)c1cccc(Cl)n1
InChIInChI=1S/C13H19ClN2O3/c1-9(8-17)16(12(18)19-13(2,3)4)11-7-5-6-10(14)15-11/h5-7,9,17H,8H2,1-4H3
InChIKeyZNWVVBSYYSKIIO-UHFFFAOYSA-N
XLogP2.86
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.86
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-[(6-chloro-2-pyridinyl)-methylamino]carbamate
CID 20624478
tert-butyl N,N-di(ethyl)carbamate;carbanide;2,6-dichloropyridine;samarium(3+)
CID 177207292
tert-butyl N-[(6-chloro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133058135
tert-butyl [4-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl] carbonate
CID 70185068
tert-butyl 2-(6-chloro-2-pyridinyl)propanoate
CID 129317588
tert-butyl 6-chloropyridine-2-carboxylate
CID 53217451
tert-butyl N-(6-ethyl-2-pyridinyl)-N-methylcarbamate
CID 58695834
tert-butyl N-(3,6-dichloro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 146285398
6-chloro-N-propan-2-yl-N-propylpyridin-2-amine
CID 63588596
tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 58402559
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
2-aminoacetic acid;tert-butyl N-(4-chloropyrimidin-2-yl)-N-propan-2-ylcarbamate;2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]pyrimidin-4-yl]amino]acetic acid
CID 162076488

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate (CID 87687103) is tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate is CC(CO)N(C(=O)OC(C)(C)C)c1cccc(Cl)n1.
What is the InChIKey of tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate?
The InChIKey is ZNWVVBSYYSKIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-9(8-17)16(12(18)19-13(2,3)4)11-7-5-6-10(14)15-11/h5-7,9,17H,8H2,1-4H3.
What are the key properties of tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate?
tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate has a molecular weight of 286.76 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)carbamate is sourced from PubChem (CID 87687103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).