CID 174413604

C2H3ClNOP — CID 174413604

IUPAC—
SMILESCC#N.O=PCl
InChIInChI=1S/C2H3N.ClOP/c1-2-3;1-3-2/h1H3;
InChIKeyVYWOEMVNZQODOQ-UHFFFAOYSA-N
MW123.48 g/mol
LogP1.96
Rot. Bonds

About CID 174413604

CID 174413604 (PubChem CID 174413604) has the molecular formula C2H3ClNOP and a molecular weight of 123.48 g/mol.

Molecular Properties

Compound NameCID 174413604
PubChem CID174413604
Molecular FormulaC2H3ClNOP
Molecular Weight123.48 g/mol
Exact Mass122.96
IUPAC Name—
SMILESCC#N.O=PCl
InChIInChI=1S/C2H3N.ClOP/c1-2-3;1-3-2/h1H3;
InChIKeyVYWOEMVNZQODOQ-UHFFFAOYSA-N
XLogP1.96
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.48
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174413604?
The IUPAC name of CID 174413604 (CID 174413604) is not available.
What is the SMILES notation for CID 174413604?
The canonical SMILES for CID 174413604 is CC#N.O=PCl.
What is the InChIKey of CID 174413604?
The InChIKey is VYWOEMVNZQODOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.ClOP/c1-2-3;1-3-2/h1H3;.
What are the key properties of CID 174413604?
CID 174413604 has a molecular weight of 123.48 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174413604 is sourced from PubChem (CID 174413604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).