tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate

C11H15BrN2O3 — CID 133056033

IUPACtert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(Br)cc1CO
InChIInChI=1S/C11H15BrN2O3/c1-11(2,3)17-10(16)14-8-5-13-9(12)4-7(8)6-15/h4-5,15H,6H2,1-3H3,(H,14,16)
InChIKeyUXWWBABZOYSOOA-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.68
Rot. Bonds2

About tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate

tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate (PubChem CID 133056033) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate
PubChem CID133056033
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Nametert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(Br)cc1CO
InChIInChI=1S/C11H15BrN2O3/c1-11(2,3)17-10(16)14-8-5-13-9(12)4-7(8)6-15/h4-5,15H,6H2,1-3H3,(H,14,16)
InChIKeyUXWWBABZOYSOOA-UHFFFAOYSA-N
XLogP2.68
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.68
H-Bond Donors ≤ 52
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-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 131744150
tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
CID 155702377
tert-butyl N-(6-bromo-4-formyl-3-pyridinyl)carbamate
CID 130115138
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
tert-butyl N-(2-bromo-5-nitro-4-pyridinyl)carbamate
CID 155389995
tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate
CID 129224331
tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate
CID 141329462
tert-butyl N-[2-bromo-5-(hydroxymethyl)phenyl]carbamate
CID 117236636
tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 142447480
tert-butyl N-[5-chloro-2-(hydroxymethyl)phenyl]carbamate
CID 117236586
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate (CID 133056033) is tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cnc(Br)cc1CO.
What is the InChIKey of tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate?
The InChIKey is UXWWBABZOYSOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-11(2,3)17-10(16)14-8-5-13-9(12)4-7(8)6-15/h4-5,15H,6H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate?
tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate has a molecular weight of 303.16 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 133056033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).