CID 59943397

C7H7N2Y — CID 59943397

IUPAC—
SMILES[H]/[N+]=N/c1cc[c-]cc1C.[Y]
InChIInChI=1S/C7H7N2.Y/c1-6-4-2-3-5-7(6)9-8;/h3-5,8H,1H3;
InChIKeyUGBDWIRHPZISHH-UHFFFAOYSA-N
MW208.05 g/mol
LogP0.42
Rot. Bonds1

About CID 59943397

CID 59943397 (PubChem CID 59943397) has the molecular formula C7H7N2Y and a molecular weight of 208.05 g/mol.

Molecular Properties

Compound NameCID 59943397
PubChem CID59943397
Molecular FormulaC7H7N2Y
Molecular Weight208.05 g/mol
Exact Mass207.97
IUPAC Name—
SMILES[H]/[N+]=N/c1cc[c-]cc1C.[Y]
InChIInChI=1S/C7H7N2.Y/c1-6-4-2-3-5-7(6)9-8;/h3-5,8H,1H3;
InChIKeyUGBDWIRHPZISHH-UHFFFAOYSA-N
XLogP0.42
TPSA36.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59943397?
The IUPAC name of CID 59943397 (CID 59943397) is not available.
What is the SMILES notation for CID 59943397?
The canonical SMILES for CID 59943397 is [H]/[N+]=N/c1cc[c-]cc1C.[Y].
What is the InChIKey of CID 59943397?
The InChIKey is UGBDWIRHPZISHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2.Y/c1-6-4-2-3-5-7(6)9-8;/h3-5,8H,1H3;.
What are the key properties of CID 59943397?
CID 59943397 has a molecular weight of 208.05 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59943397 is sourced from PubChem (CID 59943397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).