CID 171374849

C11H13ClN2O4 — CID 171374849

IUPAC—
SMILESCN(C)/C=C1\C=Nc2ccccc21.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C11H12N2.ClHO4/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;2-1(3,4)5/h3-8H,1-2H3;(H,2,3,4,5)/b9-8+;
InChIKeyHIWKIPYTDJMMPL-HRNDJLQDSA-N
MW272.69 g/mol
LogP-1.82
Rot. Bonds1

About CID 171374849

CID 171374849 (PubChem CID 171374849) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol.

Molecular Properties

Compound NameCID 171374849
PubChem CID171374849
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name—
SMILESCN(C)/C=C1\C=Nc2ccccc21.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C11H12N2.ClHO4/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;2-1(3,4)5/h3-8H,1-2H3;(H,2,3,4,5)/b9-8+;
InChIKeyHIWKIPYTDJMMPL-HRNDJLQDSA-N
XLogP-1.82
TPSA105.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 5-1.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-[(E)-indol-3-ylidenemethyl]-5-methyl-1,2-dihydropyrazol-3-one
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Frequently Asked Questions

What is the IUPAC name of CID 171374849?
The IUPAC name of CID 171374849 (CID 171374849) is not available.
What is the SMILES notation for CID 171374849?
The canonical SMILES for CID 171374849 is CN(C)/C=C1\C=Nc2ccccc21.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of CID 171374849?
The InChIKey is HIWKIPYTDJMMPL-HRNDJLQDSA-N. The full InChI is InChI=1S/C11H12N2.ClHO4/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11;2-1(3,4)5/h3-8H,1-2H3;(H,2,3,4,5)/b9-8+;.
What are the key properties of CID 171374849?
CID 171374849 has a molecular weight of 272.69 g/mol, XLogP of -1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171374849 is sourced from PubChem (CID 171374849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).