CID 10012124

C7H5ClNO — CID 10012124

IUPAC—
SMILES[O]/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C7H5ClNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5H/b9-5+
InChIKeyMOQRFHFOTKFGAN-WEVVVXLNSA-N
MW154.58 g/mol
LogP2.10
Rot. Bonds1

About CID 10012124

CID 10012124 (PubChem CID 10012124) has the molecular formula C7H5ClNO and a molecular weight of 154.58 g/mol.

Molecular Properties

Compound NameCID 10012124
PubChem CID10012124
Molecular FormulaC7H5ClNO
Molecular Weight154.58 g/mol
Exact Mass154.01
IUPAC Name—
SMILES[O]/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C7H5ClNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5H/b9-5+
InChIKeyMOQRFHFOTKFGAN-WEVVVXLNSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.58
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 10012124?
The IUPAC name of CID 10012124 (CID 10012124) is not available.
What is the SMILES notation for CID 10012124?
The canonical SMILES for CID 10012124 is [O]/N=C/c1ccc(Cl)cc1.
What is the InChIKey of CID 10012124?
The InChIKey is MOQRFHFOTKFGAN-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H5ClNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5H/b9-5+.
What are the key properties of CID 10012124?
CID 10012124 has a molecular weight of 154.58 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10012124 is sourced from PubChem (CID 10012124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).