CID 58700063

C8H8Cl2N — CID 58700063

IUPAC—
SMILES[CH2-][NH+]Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4,11H,1,5H2
InChIKeyGNQVLSUVZKXDIH-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.63
Rot. Bonds2

About CID 58700063

CID 58700063 (PubChem CID 58700063) has the molecular formula C8H8Cl2N and a molecular weight of 189.06 g/mol.

Molecular Properties

Compound NameCID 58700063
PubChem CID58700063
Molecular FormulaC8H8Cl2N
Molecular Weight189.06 g/mol
Exact Mass188.00
IUPAC Name—
SMILES[CH2-][NH+]Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4,11H,1,5H2
InChIKeyGNQVLSUVZKXDIH-UHFFFAOYSA-N
XLogP1.63
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 58700063 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-1,2-dichlorobenzene;zinc
CID 67230004
N,N-dideuterio-1-(3,4-dichlorophenyl)methanamine
CID 162352829
O-[(3,4-dichlorophenyl)methyl]hydroxylamine
CID 2764016
1-(3,4-dichlorophenyl)-N-iodomethanamine
CID 126576131
1,2-dichloro-4-(hydroperoxymethyl)benzene
CID 166873402
4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene
CID 89246462
1,2-dichloro-4-[(E)-4-chlorobut-2-enyl]benzene
CID 21327838
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene
CID 70518240
1,2-dichloro-4-(3-chlorobutyl)benzene
CID 63461279
2-[(3,4-dichlorophenyl)methyl]propanedioic acid
CID 69044923

Frequently Asked Questions

What is the IUPAC name of CID 58700063?
The IUPAC name of CID 58700063 (CID 58700063) is not available.
What is the SMILES notation for CID 58700063?
The canonical SMILES for CID 58700063 is [CH2-][NH+]Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of CID 58700063?
The InChIKey is GNQVLSUVZKXDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4,11H,1,5H2.
What are the key properties of CID 58700063?
CID 58700063 has a molecular weight of 189.06 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58700063 is sourced from PubChem (CID 58700063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).