tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate

C14H21BrN2O4 — CID 177332343

IUPACtert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate
SMILESCOCCOc1cc(NC(=O)OC(C)(C)C)cc(CBr)n1
InChIInChI=1S/C14H21BrN2O4/c1-14(2,3)21-13(18)17-10-7-11(9-15)16-12(8-10)20-6-5-19-4/h7-8H,5-6,9H2,1-4H3,(H,16,17,18)
InChIKeyRAXZABNXSSXMPE-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.35
Rot. Bonds6

About tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate

tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate (PubChem CID 177332343) has the molecular formula C14H21BrN2O4 and a molecular weight of 361.24 g/mol. Its IUPAC name is tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate
PubChem CID177332343
Molecular FormulaC14H21BrN2O4
Molecular Weight361.24 g/mol
Exact Mass360.07
IUPAC Nametert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate
SMILESCOCCOc1cc(NC(=O)OC(C)(C)C)cc(CBr)n1
InChIInChI=1S/C14H21BrN2O4/c1-14(2,3)21-13(18)17-10-7-11(9-15)16-12(8-10)20-6-5-19-4/h7-8H,5-6,9H2,1-4H3,(H,16,17,18)
InChIKeyRAXZABNXSSXMPE-UHFFFAOYSA-N
XLogP3.35
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-[2-(2,2-difluoroethoxy)-6-methyl-4-pyridinyl]carbamate
CID 158060165
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate
CID 156565952
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate
CID 58812989
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
tert-butyl N-(5-bromo-2-methoxyquinolin-7-yl)carbamate
CID 156572162
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate (CID 177332343) is tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate is COCCOc1cc(NC(=O)OC(C)(C)C)cc(CBr)n1.
What is the InChIKey of tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate?
The InChIKey is RAXZABNXSSXMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O4/c1-14(2,3)21-13(18)17-10-7-11(9-15)16-12(8-10)20-6-5-19-4/h7-8H,5-6,9H2,1-4H3,(H,16,17,18).
What are the key properties of tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate?
tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate has a molecular weight of 361.24 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(bromomethyl)-6-(2-methoxyethoxy)-4-pyridinyl]carbamate is sourced from PubChem (CID 177332343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).