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

C7H7BrN2O2 — CID 790797

IUPACmethyl N-(5-bromo-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C7H7BrN2O2/c1-12-7(11)10-6-3-2-5(8)4-9-6/h2-4H,1H3,(H,9,10,11)
InChIKeyXYBRWUNZRUBCGY-UHFFFAOYSA-N
MW231.05 g/mol
LogP2.02
Rot. Bonds1

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

methyl N-(5-bromo-2-pyridinyl)carbamate (PubChem CID 790797) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is methyl N-(5-bromo-2-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-bromo-2-pyridinyl)carbamate
PubChem CID790797
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Namemethyl N-(5-bromo-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C7H7BrN2O2/c1-12-7(11)10-6-3-2-5(8)4-9-6/h2-4H,1H3,(H,9,10,11)
InChIKeyXYBRWUNZRUBCGY-UHFFFAOYSA-N
XLogP2.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((5-Bromo-2-pyridinyl)amino)-4-oxobutanoic acid
CID 647833
2-Amino-5-bromopyridine
CID 70622
2-Acetamidopyridine
CID 72929
N-Pyridin-2-ylcarbamimidic acid
CID 202697
2-Amino-3-bromopyridine
CID 817700
2-Acetamido-5-bromopyridine
CID 293097
2-(Boc-amino)pyridine
CID 11206349
2-Acetylamino-2-(5-bromo-pyridin-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
CID 540880
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
N-(5-bromopyridin-2-yl)propanamide
CID 774878
2-Amino-4-bromopyridine
CID 693282

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-bromo-2-pyridinyl)carbamate?
The IUPAC name of methyl N-(5-bromo-2-pyridinyl)carbamate (CID 790797) is methyl N-(5-bromo-2-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(5-bromo-2-pyridinyl)carbamate?
The canonical SMILES for methyl N-(5-bromo-2-pyridinyl)carbamate is COC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of methyl N-(5-bromo-2-pyridinyl)carbamate?
The InChIKey is XYBRWUNZRUBCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-12-7(11)10-6-3-2-5(8)4-9-6/h2-4H,1H3,(H,9,10,11).
What are the key properties of methyl N-(5-bromo-2-pyridinyl)carbamate?
methyl N-(5-bromo-2-pyridinyl)carbamate has a molecular weight of 231.05 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-bromo-2-pyridinyl)carbamate is sourced from PubChem (CID 790797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).