ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate

C10H14BrN3O2 — CID 143359554

IUPACethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate
SMILESCC.[H]/N=C(\C(=O)OC)c1cc(Br)cnc1N
InChIInChI=1S/C8H8BrN3O2.C2H6/c1-14-8(13)6(10)5-2-4(9)3-12-7(5)11;1-2/h2-3,10H,1H3,(H2,11,12);1-2H3/b10-6-;
InChIKeyZZYLCVNHONEQAE-OTUCAILMSA-N
MW288.14 g/mol
LogP1.99
Rot. Bonds2

About ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate

ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate (PubChem CID 143359554) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate.

Molecular Properties

Compound Nameethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate
PubChem CID143359554
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Nameethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate
SMILESCC.[H]/N=C(\C(=O)OC)c1cc(Br)cnc1N
InChIInChI=1S/C8H8BrN3O2.C2H6/c1-14-8(13)6(10)5-2-4(9)3-12-7(5)11;1-2/h2-3,10H,1H3,(H2,11,12);1-2H3/b10-6-;
InChIKeyZZYLCVNHONEQAE-OTUCAILMSA-N
XLogP1.99
TPSA89.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate
CID 170602546
2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
CID 84704280
2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
CID 62187326
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
1-(2-amino-5-bromo-3-pyridinyl)-1-imino-N-phenylmethanesulfonamide
CID 89362340
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate
CID 142835798
2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide
CID 62153366
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
2-amino-5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 155213563
[amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium
CID 147829128

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate?
The IUPAC name of ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate (CID 143359554) is ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate.
What is the SMILES notation for ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate?
The canonical SMILES for ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate is CC.[H]/N=C(\C(=O)OC)c1cc(Br)cnc1N.
What is the InChIKey of ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate?
The InChIKey is ZZYLCVNHONEQAE-OTUCAILMSA-N. The full InChI is InChI=1S/C8H8BrN3O2.C2H6/c1-14-8(13)6(10)5-2-4(9)3-12-7(5)11;1-2/h2-3,10H,1H3,(H2,11,12);1-2H3/b10-6-;.
What are the key properties of ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate?
ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate has a molecular weight of 288.14 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(2-amino-5-bromo-3-pyridinyl)-2-iminoacetate is sourced from PubChem (CID 143359554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).