CID 172784548

H3ClIN — CID 172784548

IUPAC—
SMILESClI.N
InChIInChI=1S/ClI.H3N/c1-2;/h;1H3
InChIKeyOSDWNEXWHCEEQW-UHFFFAOYSA-N
MW179.39 g/mol
LogP1.74
Rot. Bonds

About CID 172784548

CID 172784548 (PubChem CID 172784548) has the molecular formula H3ClIN and a molecular weight of 179.39 g/mol.

Molecular Properties

Compound NameCID 172784548
PubChem CID172784548
Molecular FormulaH3ClIN
Molecular Weight179.39 g/mol
Exact Mass178.90
IUPAC Name—
SMILESClI.N
InChIInChI=1S/ClI.H3N/c1-2;/h;1H3
InChIKeyOSDWNEXWHCEEQW-UHFFFAOYSA-N
XLogP1.74
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 172784548?
The IUPAC name of CID 172784548 (CID 172784548) is not available.
What is the SMILES notation for CID 172784548?
The canonical SMILES for CID 172784548 is ClI.N.
What is the InChIKey of CID 172784548?
The InChIKey is OSDWNEXWHCEEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/ClI.H3N/c1-2;/h;1H3.
What are the key properties of CID 172784548?
CID 172784548 has a molecular weight of 179.39 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172784548 is sourced from PubChem (CID 172784548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).