methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate

C8H9BrN2O2 — CID 115268324

IUPACmethyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(Br)cn1
InChIInChI=1S/C8H9BrN2O2/c1-11(8(12)13-2)7-4-3-6(9)5-10-7/h3-5H,1-2H3
InChIKeyBGQJINWESBLXOX-UHFFFAOYSA-N
MW245.08 g/mol
LogP2.05
Rot. Bonds1

About methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate

methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate (PubChem CID 115268324) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
PubChem CID115268324
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Namemethyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(Br)cn1
InChIInChI=1S/C8H9BrN2O2/c1-11(8(12)13-2)7-4-3-6(9)5-10-7/h3-5H,1-2H3
InChIKeyBGQJINWESBLXOX-UHFFFAOYSA-N
XLogP2.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate 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

methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268384
N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268287
1-(5-bromo-2-pyridinyl)-1-methyl-3-phenylurea
CID 115268322
N-(5-bromo-2-pyridinyl)-2-methoxy-N,5-dimethylbenzamide
CID 115274114
N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide
CID 115268312
N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide
CID 115268285
N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide
CID 115274143
N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
CID 115274145
N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 115268319
N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide
CID 115274152
N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide
CID 115274139
methyl 5-bromopyridine-2-carboxylate
CID 7016458

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate (CID 115268324) is methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate is COC(=O)N(C)c1ccc(Br)cn1.
What is the InChIKey of methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate?
The InChIKey is BGQJINWESBLXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-11(8(12)13-2)7-4-3-6(9)5-10-7/h3-5H,1-2H3.
What are the key properties of methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate?
methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate has a molecular weight of 245.08 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 115268324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).