ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate

C9H11BrN2O2 — CID 121230185

IUPACethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate
SMILESCCOC(=O)C(N)c1ccncc1Br
InChIInChI=1S/C9H11BrN2O2/c1-2-14-9(13)8(11)6-3-4-12-5-7(6)10/h3-5,8H,2,11H2,1H3
InChIKeyWKDVAMIHCBFHHM-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.41
Rot. Bonds3

About ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate

ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate (PubChem CID 121230185) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate
PubChem CID121230185
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Nameethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate
SMILESCCOC(=O)C(N)c1ccncc1Br
InChIInChI=1S/C9H11BrN2O2/c1-2-14-9(13)8(11)6-3-4-12-5-7(6)10/h3-5,8H,2,11H2,1H3
InChIKeyWKDVAMIHCBFHHM-UHFFFAOYSA-N
XLogP1.41
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-[[(3-bromo-4-pyridinyl)amino]methylidene]propanedioate
CID 137391073
3-bromo-4-(1-ethoxyethyl)pyridine
CID 71104941
2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid
CID 83879712
ethyl 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]acetate
CID 104779166
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
1-(3-bromo-4-pyridinyl)decan-1-ol
CID 151141391
methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55278233
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-amino-2-(6-bromo-1-methylindol-3-yl)acetate
CID 115073266
(2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide
CID 107570334
(2R)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide
CID 107570335
methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate
CID 130613043

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate?
The IUPAC name of ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate (CID 121230185) is ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate?
The canonical SMILES for ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate is CCOC(=O)C(N)c1ccncc1Br.
What is the InChIKey of ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate?
The InChIKey is WKDVAMIHCBFHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-2-14-9(13)8(11)6-3-4-12-5-7(6)10/h3-5,8H,2,11H2,1H3.
What are the key properties of ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate?
ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate has a molecular weight of 259.10 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate is sourced from PubChem (CID 121230185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).