CID 131857449

C7H7NNaO2 — CID 131857449

IUPAC—
SMILESO=C(O)Cc1ccccn1.[Na]
InChIInChI=1S/C7H7NO2.Na/c9-7(10)5-6-3-1-2-4-8-6;/h1-4H,5H2,(H,9,10);
InChIKeyQHGLCUAVIOBFOX-UHFFFAOYSA-N
MW160.13 g/mol
LogP0.33
Rot. Bonds2

About CID 131857449

CID 131857449 (PubChem CID 131857449) has the molecular formula C7H7NNaO2 and a molecular weight of 160.13 g/mol.

Molecular Properties

Compound NameCID 131857449
PubChem CID131857449
Molecular FormulaC7H7NNaO2
Molecular Weight160.13 g/mol
Exact Mass160.04
IUPAC Name—
SMILESO=C(O)Cc1ccccn1.[Na]
InChIInChI=1S/C7H7NO2.Na/c9-7(10)5-6-3-1-2-4-8-6;/h1-4H,5H2,(H,9,10);
InChIKeyQHGLCUAVIOBFOX-UHFFFAOYSA-N
XLogP0.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
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2-[prop-2-ynyl-(2-pyridin-2-ylacetyl)amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of CID 131857449?
The IUPAC name of CID 131857449 (CID 131857449) is not available.
What is the SMILES notation for CID 131857449?
The canonical SMILES for CID 131857449 is O=C(O)Cc1ccccn1.[Na].
What is the InChIKey of CID 131857449?
The InChIKey is QHGLCUAVIOBFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.Na/c9-7(10)5-6-3-1-2-4-8-6;/h1-4H,5H2,(H,9,10);.
What are the key properties of CID 131857449?
CID 131857449 has a molecular weight of 160.13 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131857449 is sourced from PubChem (CID 131857449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).