CID 173096643

H2ClIN- — CID 173096643

IUPAC—
SMILESN[I-]Cl
InChIInChI=1S/ClH2IN/c1-2-3/h3H2/q-1
InChIKeyHCBAOMOBRVELJX-UHFFFAOYSA-N
MW178.38 g/mol
LogP-2.90
Rot. Bonds

About CID 173096643

CID 173096643 (PubChem CID 173096643) has the molecular formula H2ClIN- and a molecular weight of 178.38 g/mol.

Molecular Properties

Compound NameCID 173096643
PubChem CID173096643
Molecular FormulaH2ClIN-
Molecular Weight178.38 g/mol
Exact Mass177.89
IUPAC Name—
SMILESN[I-]Cl
InChIInChI=1S/ClH2IN/c1-2-3/h3H2/q-1
InChIKeyHCBAOMOBRVELJX-UHFFFAOYSA-N
XLogP-2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.38
LogP ≤ 5-2.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173096643?
The IUPAC name of CID 173096643 (CID 173096643) is not available.
What is the SMILES notation for CID 173096643?
The canonical SMILES for CID 173096643 is N[I-]Cl.
What is the InChIKey of CID 173096643?
The InChIKey is HCBAOMOBRVELJX-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH2IN/c1-2-3/h3H2/q-1.
What are the key properties of CID 173096643?
CID 173096643 has a molecular weight of 178.38 g/mol, XLogP of -2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173096643 is sourced from PubChem (CID 173096643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).