ethyl N-(4-bromo-2-pyridinyl)carbamate

C8H9BrN2O2 — CID 102820649

IUPACethyl N-(4-bromo-2-pyridinyl)carbamate
SMILESCCOC(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C8H9BrN2O2/c1-2-13-8(12)11-7-5-6(9)3-4-10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyDOYCRPTUHFQCLK-UHFFFAOYSA-N
MW245.08 g/mol
LogP2.41
Rot. Bonds2

About ethyl N-(4-bromo-2-pyridinyl)carbamate

ethyl N-(4-bromo-2-pyridinyl)carbamate (PubChem CID 102820649) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is ethyl N-(4-bromo-2-pyridinyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-bromo-2-pyridinyl)carbamate
PubChem CID102820649
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Nameethyl N-(4-bromo-2-pyridinyl)carbamate
SMILESCCOC(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C8H9BrN2O2/c1-2-13-8(12)11-7-5-6(9)3-4-10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyDOYCRPTUHFQCLK-UHFFFAOYSA-N
XLogP2.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
CID 157074454
1-(4-bromo-2-pyridinyl)-3-propylurea
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ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
CID 113036036
1-(4-bromo-2-pyridinyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877451
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
ethyl N-pyrido[3,4-b]pyrazin-7-ylcarbamate
CID 69170095
4-chloropyridine-2-carboxylic acid;ethanol;ethyl N-(4-chloro-2-pyridinyl)carbamate
CID 157211318
4-bromopyridin-2-amine;phenyl N-(4-bromo-2-pyridinyl)carbamate
CID 158773568
tert-butyl N-[2-[(4-bromo-2-pyridinyl)carbamoylamino]ethyl]carbamate
CID 108864612
ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate
CID 46427204
2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide
CID 130631426
N-(4-bromo-2-pyridinyl)-5-methylpyrazine-2-carboxamide
CID 102674370

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-bromo-2-pyridinyl)carbamate?
The IUPAC name of ethyl N-(4-bromo-2-pyridinyl)carbamate (CID 102820649) is ethyl N-(4-bromo-2-pyridinyl)carbamate.
What is the SMILES notation for ethyl N-(4-bromo-2-pyridinyl)carbamate?
The canonical SMILES for ethyl N-(4-bromo-2-pyridinyl)carbamate is CCOC(=O)Nc1cc(Br)ccn1.
What is the InChIKey of ethyl N-(4-bromo-2-pyridinyl)carbamate?
The InChIKey is DOYCRPTUHFQCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-2-13-8(12)11-7-5-6(9)3-4-10-7/h3-5H,2H2,1H3,(H,10,11,12).
What are the key properties of ethyl N-(4-bromo-2-pyridinyl)carbamate?
ethyl N-(4-bromo-2-pyridinyl)carbamate has a molecular weight of 245.08 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-bromo-2-pyridinyl)carbamate is sourced from PubChem (CID 102820649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).