CID 59528238

C8H8ClN — CID 59528238

IUPAC—
SMILES[CH]Nc1cccc(Cl)c1C
InChIInChI=1S/C8H8ClN/c1-6-7(9)4-3-5-8(6)10-2/h2-5,10H,1H3
InChIKeyKVOKIAPXUPWTHA-UHFFFAOYSA-N
MW153.61 g/mol
LogP2.73
Rot. Bonds1

About CID 59528238

CID 59528238 (PubChem CID 59528238) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol.

Molecular Properties

Compound NameCID 59528238
PubChem CID59528238
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name—
SMILES[CH]Nc1cccc(Cl)c1C
InChIInChI=1S/C8H8ClN/c1-6-7(9)4-3-5-8(6)10-2/h2-5,10H,1H3
InChIKeyKVOKIAPXUPWTHA-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59528238?
The IUPAC name of CID 59528238 (CID 59528238) is not available.
What is the SMILES notation for CID 59528238?
The canonical SMILES for CID 59528238 is [CH]Nc1cccc(Cl)c1C.
What is the InChIKey of CID 59528238?
The InChIKey is KVOKIAPXUPWTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN/c1-6-7(9)4-3-5-8(6)10-2/h2-5,10H,1H3.
What are the key properties of CID 59528238?
CID 59528238 has a molecular weight of 153.61 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59528238 is sourced from PubChem (CID 59528238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).