tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate

C10H14N2O3 — CID 57421818

IUPACtert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cncc(O)c1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-4-8(13)6-11-5-7/h4-6,13H,1-3H3,(H,12,14)
InChIKeyNMNLEGGOBKZYGQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.13
Rot. Bonds1

About tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate

tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate (PubChem CID 57421818) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
PubChem CID57421818
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nametert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cncc(O)c1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-4-8(13)6-11-5-7/h4-6,13H,1-3H3,(H,12,14)
InChIKeyNMNLEGGOBKZYGQ-UHFFFAOYSA-N
XLogP2.13
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-trimethylstannyl-3-pyridinyl)carbamate
CID 131735483
methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 53401501
tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate
CID 22033548
[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl] ethanesulfonate
CID 174776753
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate
CID 57416500
tert-butyl N-[5-(phenylmethoxycarbamoyl)-3-pyridinyl]carbamate
CID 164753912
tert-butyl N-[5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamate
CID 76675786
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155894591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate (CID 57421818) is tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1cncc(O)c1.
What is the InChIKey of tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate?
The InChIKey is NMNLEGGOBKZYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-4-8(13)6-11-5-7/h4-6,13H,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate?
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate has a molecular weight of 210.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate is sourced from PubChem (CID 57421818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).