[(5-chloro-2-pyridinyl)amino] acetate

C7H7ClN2O2 — CID 55278960

IUPAC[(5-chloro-2-pyridinyl)amino] acetate
SMILESCC(=O)ONc1ccc(Cl)cn1
InChIInChI=1S/C7H7ClN2O2/c1-5(11)12-10-7-3-2-6(8)4-9-7/h2-4H,1H3,(H,9,10)
InChIKeyQNIKWGQUVYJHSH-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.62
Rot. Bonds2

About [(5-chloro-2-pyridinyl)amino] acetate

[(5-chloro-2-pyridinyl)amino] acetate (PubChem CID 55278960) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is [(5-chloro-2-pyridinyl)amino] acetate.

Molecular Properties

Compound Name[(5-chloro-2-pyridinyl)amino] acetate
PubChem CID55278960
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name[(5-chloro-2-pyridinyl)amino] acetate
SMILESCC(=O)ONc1ccc(Cl)cn1
InChIInChI=1S/C7H7ClN2O2/c1-5(11)12-10-7-3-2-6(8)4-9-7/h2-4H,1H3,(H,9,10)
InChIKeyQNIKWGQUVYJHSH-UHFFFAOYSA-N
XLogP1.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-pyridinyl)amino] acetate?
The IUPAC name of [(5-chloro-2-pyridinyl)amino] acetate (CID 55278960) is [(5-chloro-2-pyridinyl)amino] acetate.
What is the SMILES notation for [(5-chloro-2-pyridinyl)amino] acetate?
The canonical SMILES for [(5-chloro-2-pyridinyl)amino] acetate is CC(=O)ONc1ccc(Cl)cn1.
What is the InChIKey of [(5-chloro-2-pyridinyl)amino] acetate?
The InChIKey is QNIKWGQUVYJHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-5(11)12-10-7-3-2-6(8)4-9-7/h2-4H,1H3,(H,9,10).
What are the key properties of [(5-chloro-2-pyridinyl)amino] acetate?
[(5-chloro-2-pyridinyl)amino] acetate has a molecular weight of 186.60 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2-pyridinyl)amino] acetate is sourced from PubChem (CID 55278960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).