ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate

C8H10BrN3O2 — CID 67086431

IUPACethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate
SMILESCCOC(=O)Nc1cc(Br)cnc1N
InChIInChI=1S/C8H10BrN3O2/c1-2-14-8(13)12-6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11)(H,12,13)
InChIKeyLMQTZCGCVJDXTO-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.99
Rot. Bonds2

About ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate

ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate (PubChem CID 67086431) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate
PubChem CID67086431
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Nameethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate
SMILESCCOC(=O)Nc1cc(Br)cnc1N
InChIInChI=1S/C8H10BrN3O2/c1-2-14-8(13)12-6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11)(H,12,13)
InChIKeyLMQTZCGCVJDXTO-UHFFFAOYSA-N
XLogP1.99
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate
CID 160632278
ethyl N-(2,4-diamino-5-methylphenyl)carbamate
CID 154351383
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
CID 83170551
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylimino]propanoate
CID 143612144
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide
CID 91450779
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate
CID 143146128
benzyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate
CID 130581136

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate?
The IUPAC name of ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate (CID 67086431) is ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate.
What is the SMILES notation for ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate?
The canonical SMILES for ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate is CCOC(=O)Nc1cc(Br)cnc1N.
What is the InChIKey of ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate?
The InChIKey is LMQTZCGCVJDXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-2-14-8(13)12-6-3-5(9)4-11-7(6)10/h3-4H,2H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate?
ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate has a molecular weight of 260.09 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate is sourced from PubChem (CID 67086431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).