2-(2-chloropyridine-3-carbonyl)selanylacetic acid

C8H6ClNO3Se — CID 171352660

IUPAC2-(2-chloropyridine-3-carbonyl)selanylacetic acid
SMILESO=C(O)C[Se]C(=O)c1cccnc1Cl
InChIInChI=1S/C8H6ClNO3Se/c9-7-5(2-1-3-10-7)8(13)14-4-6(11)12/h1-3H,4H2,(H,11,12)
InChIKeyMLZCKIVJBWAHTQ-UHFFFAOYSA-N
MW278.55 g/mol
LogP1.08
Rot. Bonds4

About 2-(2-chloropyridine-3-carbonyl)selanylacetic acid

2-(2-chloropyridine-3-carbonyl)selanylacetic acid (PubChem CID 171352660) has the molecular formula C8H6ClNO3Se and a molecular weight of 278.55 g/mol. Its IUPAC name is 2-(2-chloropyridine-3-carbonyl)selanylacetic acid.

Molecular Properties

Compound Name2-(2-chloropyridine-3-carbonyl)selanylacetic acid
PubChem CID171352660
Molecular FormulaC8H6ClNO3Se
Molecular Weight278.55 g/mol
Exact Mass278.92
IUPAC Name2-(2-chloropyridine-3-carbonyl)selanylacetic acid
SMILESO=C(O)C[Se]C(=O)c1cccnc1Cl
InChIInChI=1S/C8H6ClNO3Se/c9-7-5(2-1-3-10-7)8(13)14-4-6(11)12/h1-3H,4H2,(H,11,12)
InChIKeyMLZCKIVJBWAHTQ-UHFFFAOYSA-N
XLogP1.08
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.55
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyridine-3-carbonyl)selanylacetic acid?
The IUPAC name of 2-(2-chloropyridine-3-carbonyl)selanylacetic acid (CID 171352660) is 2-(2-chloropyridine-3-carbonyl)selanylacetic acid.
What is the SMILES notation for 2-(2-chloropyridine-3-carbonyl)selanylacetic acid?
The canonical SMILES for 2-(2-chloropyridine-3-carbonyl)selanylacetic acid is O=C(O)C[Se]C(=O)c1cccnc1Cl.
What is the InChIKey of 2-(2-chloropyridine-3-carbonyl)selanylacetic acid?
The InChIKey is MLZCKIVJBWAHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3Se/c9-7-5(2-1-3-10-7)8(13)14-4-6(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(2-chloropyridine-3-carbonyl)selanylacetic acid?
2-(2-chloropyridine-3-carbonyl)selanylacetic acid has a molecular weight of 278.55 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyridine-3-carbonyl)selanylacetic acid is sourced from PubChem (CID 171352660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).