ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide

C9H12Br2N2O2 — CID 86652071

IUPACethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide
SMILESBr.[H]/N=c1\ccc(Br)cn1CC(=O)OCC
InChIInChI=1S/C9H11BrN2O2.BrH/c1-2-14-9(13)6-12-5-7(10)3-4-8(12)11;/h3-5,11H,2,6H2,1H3;1H/b11-8+;
InChIKeyMKCIRAUGUFNZFY-YGCVIUNWSA-N
MW340.02 g/mol
LogP1.87
Rot. Bonds3

About ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide

ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide (PubChem CID 86652071) has the molecular formula C9H12Br2N2O2 and a molecular weight of 340.02 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide
PubChem CID86652071
Molecular FormulaC9H12Br2N2O2
Molecular Weight340.02 g/mol
Exact Mass337.93
IUPAC Nameethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide
SMILESBr.[H]/N=c1\ccc(Br)cn1CC(=O)OCC
InChIInChI=1S/C9H11BrN2O2.BrH/c1-2-14-9(13)6-12-5-7(10)3-4-8(12)11;/h3-5,11H,2,6H2,1H3;1H/b11-8+;
InChIKeyMKCIRAUGUFNZFY-YGCVIUNWSA-N
XLogP1.87
TPSA55.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.02
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-[bis(3-methylbutyl)carbamoyl]-2-imino-1-pyridinyl]acetate
CID 59626970
ethyl (2S)-2-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]oxypropanoate
CID 75494413
5-bromo-2-iminopyridine-1-carboxamide
CID 126715949
ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate
CID 82777495
ethyl 2-(5-carbamimidoyl-2,4-dioxopyrimidin-1-yl)acetate
CID 118972563
ethyl 2-[3-[2-(4-bromophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetate
CID 3421166
ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate
CID 103484823
ethyl 4-(3,5-dibromo-2-oxo-1-pyridinyl)-3-oxobutanoate
CID 113413565
ethyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
CID 698673
ethyl 2-(3-bromo-4-oxothieno[3,2-c]pyridin-5-yl)acetate
CID 129219762
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide?
The IUPAC name of ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide (CID 86652071) is ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide.
What is the SMILES notation for ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide?
The canonical SMILES for ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide is Br.[H]/N=c1\ccc(Br)cn1CC(=O)OCC.
What is the InChIKey of ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide?
The InChIKey is MKCIRAUGUFNZFY-YGCVIUNWSA-N. The full InChI is InChI=1S/C9H11BrN2O2.BrH/c1-2-14-9(13)6-12-5-7(10)3-4-8(12)11;/h3-5,11H,2,6H2,1H3;1H/b11-8+;.
What are the key properties of ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide?
ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide has a molecular weight of 340.02 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2-imino-1-pyridinyl)acetate;hydrobromide is sourced from PubChem (CID 86652071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).