CID 152901684

C9H9ClI- — CID 152901684

IUPAC—
SMILESCc1cc(Cl)ccc1C1C[I-]1
InChIInChI=1S/C9H9ClI/c1-6-4-7(10)2-3-8(6)9-5-11-9/h2-4,9H,5H2,1H3/q-1
InChIKeyGLUDCUGODUSQJR-UHFFFAOYSA-N
MW279.53 g/mol
LogP-0.21
Rot. Bonds1

About CID 152901684

CID 152901684 (PubChem CID 152901684) has the molecular formula C9H9ClI- and a molecular weight of 279.53 g/mol.

Molecular Properties

Compound NameCID 152901684
PubChem CID152901684
Molecular FormulaC9H9ClI-
Molecular Weight279.53 g/mol
Exact Mass278.94
IUPAC Name—
SMILESCc1cc(Cl)ccc1C1C[I-]1
InChIInChI=1S/C9H9ClI/c1-6-4-7(10)2-3-8(6)9-5-11-9/h2-4,9H,5H2,1H3/q-1
InChIKeyGLUDCUGODUSQJR-UHFFFAOYSA-N
XLogP-0.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.53
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-(4-chloro-2-methylphenyl)pyrrolidine
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(4-chloro-2-methylphenyl)azanium
CID 24848193
2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole
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N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline
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CID 58915277

Frequently Asked Questions

What is the IUPAC name of CID 152901684?
The IUPAC name of CID 152901684 (CID 152901684) is not available.
What is the SMILES notation for CID 152901684?
The canonical SMILES for CID 152901684 is Cc1cc(Cl)ccc1C1C[I-]1.
What is the InChIKey of CID 152901684?
The InChIKey is GLUDCUGODUSQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClI/c1-6-4-7(10)2-3-8(6)9-5-11-9/h2-4,9H,5H2,1H3/q-1.
What are the key properties of CID 152901684?
CID 152901684 has a molecular weight of 279.53 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 152901684 is sourced from PubChem (CID 152901684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).