CID 87288277

C9H5ClKN2O3 — CID 87288277

IUPAC—
SMILESO=C(O)C(=O)c1c[nH]c2c(Cl)nccc12.[K]
InChIInChI=1S/C9H5ClN2O3.K/c10-8-6-4(1-2-11-8)5(3-12-6)7(13)9(14)15;/h1-3,12H,(H,14,15);
InChIKeyHJIUVUCSHPBFSJ-UHFFFAOYSA-N
MW263.70 g/mol
LogP1.10
Rot. Bonds2

About CID 87288277

CID 87288277 (PubChem CID 87288277) has the molecular formula C9H5ClKN2O3 and a molecular weight of 263.70 g/mol.

Molecular Properties

Compound NameCID 87288277
PubChem CID87288277
Molecular FormulaC9H5ClKN2O3
Molecular Weight263.70 g/mol
Exact Mass262.96
IUPAC Name—
SMILESO=C(O)C(=O)c1c[nH]c2c(Cl)nccc12.[K]
InChIInChI=1S/C9H5ClN2O3.K/c10-8-6-4(1-2-11-8)5(3-12-6)7(13)9(14)15;/h1-3,12H,(H,14,15);
InChIKeyHJIUVUCSHPBFSJ-UHFFFAOYSA-N
XLogP1.10
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87288277?
The IUPAC name of CID 87288277 (CID 87288277) is not available.
What is the SMILES notation for CID 87288277?
The canonical SMILES for CID 87288277 is O=C(O)C(=O)c1c[nH]c2c(Cl)nccc12.[K].
What is the InChIKey of CID 87288277?
The InChIKey is HJIUVUCSHPBFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3.K/c10-8-6-4(1-2-11-8)5(3-12-6)7(13)9(14)15;/h1-3,12H,(H,14,15);.
What are the key properties of CID 87288277?
CID 87288277 has a molecular weight of 263.70 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87288277 is sourced from PubChem (CID 87288277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).