CID 101090583

C4H3N2O3 — CID 101090583

IUPAC—
SMILES[O]c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H3N2O3/c7-2-1-5-4(9)6-3(2)8/h1H,(H2,5,6,8,9)
InChIKeyYUMDYLWQWZMMKU-UHFFFAOYSA-N
MW127.08 g/mol
LogP-0.79
Rot. Bonds

About CID 101090583

CID 101090583 (PubChem CID 101090583) has the molecular formula C4H3N2O3 and a molecular weight of 127.08 g/mol.

Molecular Properties

Compound NameCID 101090583
PubChem CID101090583
Molecular FormulaC4H3N2O3
Molecular Weight127.08 g/mol
Exact Mass127.01
IUPAC Name—
SMILES[O]c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H3N2O3/c7-2-1-5-4(9)6-3(2)8/h1H,(H2,5,6,8,9)
InChIKeyYUMDYLWQWZMMKU-UHFFFAOYSA-N
XLogP-0.79
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.08
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 101090583?
The IUPAC name of CID 101090583 (CID 101090583) is not available.
What is the SMILES notation for CID 101090583?
The canonical SMILES for CID 101090583 is [O]c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of CID 101090583?
The InChIKey is YUMDYLWQWZMMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N2O3/c7-2-1-5-4(9)6-3(2)8/h1H,(H2,5,6,8,9).
What are the key properties of CID 101090583?
CID 101090583 has a molecular weight of 127.08 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101090583 is sourced from PubChem (CID 101090583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).