CID 70416438

C7H5NNaO — CID 70416438

IUPAC—
SMILES[Na].c1ccc2ocnc2c1
InChIInChI=1S/C7H5NO.Na/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H;
InChIKeyWKJPHGWIIYGHAR-UHFFFAOYSA-N
MW142.11 g/mol
LogP1.45
Rot. Bonds

About CID 70416438

CID 70416438 (PubChem CID 70416438) has the molecular formula C7H5NNaO and a molecular weight of 142.11 g/mol.

Molecular Properties

Compound NameCID 70416438
PubChem CID70416438
Molecular FormulaC7H5NNaO
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name—
SMILES[Na].c1ccc2ocnc2c1
InChIInChI=1S/C7H5NO.Na/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H;
InChIKeyWKJPHGWIIYGHAR-UHFFFAOYSA-N
XLogP1.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 70416438?
The IUPAC name of CID 70416438 (CID 70416438) is not available.
What is the SMILES notation for CID 70416438?
The canonical SMILES for CID 70416438 is [Na].c1ccc2ocnc2c1.
What is the InChIKey of CID 70416438?
The InChIKey is WKJPHGWIIYGHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO.Na/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H;.
What are the key properties of CID 70416438?
CID 70416438 has a molecular weight of 142.11 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70416438 is sourced from PubChem (CID 70416438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).