methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate

C8H9ClN2O2 — CID 130059341

IUPACmethyl 2-amino-2-(2-chloro-3-pyridinyl)acetate
SMILESCOC(=O)C(N)c1cccnc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-13-8(12)6(10)5-3-2-4-11-7(5)9/h2-4,6H,10H2,1H3
InChIKeyZBZBGNCYICCESO-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.91
Rot. Bonds2

About methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate

methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate (PubChem CID 130059341) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2-chloro-3-pyridinyl)acetate
PubChem CID130059341
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Namemethyl 2-amino-2-(2-chloro-3-pyridinyl)acetate
SMILESCOC(=O)C(N)c1cccnc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-13-8(12)6(10)5-3-2-4-11-7(5)9/h2-4,6H,10H2,1H3
InChIKeyZBZBGNCYICCESO-UHFFFAOYSA-N
XLogP0.91
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate?
The IUPAC name of methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate (CID 130059341) is methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate is COC(=O)C(N)c1cccnc1Cl.
What is the InChIKey of methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate?
The InChIKey is ZBZBGNCYICCESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-13-8(12)6(10)5-3-2-4-11-7(5)9/h2-4,6H,10H2,1H3.
What are the key properties of methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate?
methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate has a molecular weight of 200.63 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate is sourced from PubChem (CID 130059341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).