ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide

C9H12BrFN2O2 — CID 66789137

IUPACethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide
SMILESBr.CCOC(=O)Cc1cc(F)cnc1N
InChIInChI=1S/C9H11FN2O2.BrH/c1-2-14-8(13)4-6-3-7(10)5-12-9(6)11;/h3,5H,2,4H2,1H3,(H2,11,12);1H
InChIKeyUJVZAOGXGKRJLH-UHFFFAOYSA-N
MW279.11 g/mol
LogP1.49
Rot. Bonds3

About ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide

ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide (PubChem CID 66789137) has the molecular formula C9H12BrFN2O2 and a molecular weight of 279.11 g/mol. Its IUPAC name is ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide.

Molecular Properties

Compound Nameethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide
PubChem CID66789137
Molecular FormulaC9H12BrFN2O2
Molecular Weight279.11 g/mol
Exact Mass278.01
IUPAC Nameethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide
SMILESBr.CCOC(=O)Cc1cc(F)cnc1N
InChIInChI=1S/C9H11FN2O2.BrH/c1-2-14-8(13)4-6-3-7(10)5-12-9(6)11;/h3,5H,2,4H2,1H3,(H2,11,12);1H
InChIKeyUJVZAOGXGKRJLH-UHFFFAOYSA-N
XLogP1.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-amino-5-methoxy-3-pyridinyl)acetate
CID 170599003
2-(2-amino-5-fluoro-3-pyridinyl)acetic acid
CID 118995801
3-ethyl-5-fluoropyridin-2-amine
CID 55284816
ethyl 2-(4-bromo-6-fluoro-3-pyridinyl)acetate
CID 133098174
ethyl 2-(3-cyano-5-fluoro-2-pyridinyl)acetate
CID 133097544
ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
CID 133096427
ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate
CID 5314331
ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134671707
ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate
CID 133096784
ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098329
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-[2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096484

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide?
The IUPAC name of ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide (CID 66789137) is ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide.
What is the SMILES notation for ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide?
The canonical SMILES for ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide is Br.CCOC(=O)Cc1cc(F)cnc1N.
What is the InChIKey of ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide?
The InChIKey is UJVZAOGXGKRJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2.BrH/c1-2-14-8(13)4-6-3-7(10)5-12-9(6)11;/h3,5H,2,4H2,1H3,(H2,11,12);1H.
What are the key properties of ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide?
ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide has a molecular weight of 279.11 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide is sourced from PubChem (CID 66789137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).