CID 160566295

C9H9ClN2 — CID 160566295

IUPAC—
SMILESNCl.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.ClH2N/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-7H;2H2
InChIKeyQZYVWCYNDZZJQD-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.33
Rot. Bonds

About CID 160566295

CID 160566295 (PubChem CID 160566295) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol.

Molecular Properties

Compound NameCID 160566295
PubChem CID160566295
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name—
SMILESNCl.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.ClH2N/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-7H;2H2
InChIKeyQZYVWCYNDZZJQD-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 160566295?
The IUPAC name of CID 160566295 (CID 160566295) is not available.
What is the SMILES notation for CID 160566295?
The canonical SMILES for CID 160566295 is NCl.c1ccc2ncccc2c1.
What is the InChIKey of CID 160566295?
The InChIKey is QZYVWCYNDZZJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.ClH2N/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-7H;2H2.
What are the key properties of CID 160566295?
CID 160566295 has a molecular weight of 180.64 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160566295 is sourced from PubChem (CID 160566295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).