CID 175246691

C6H5InNO2 — CID 175246691

IUPAC—
SMILESO=C(O)c1ccccn1.[In]
InChIInChI=1S/C6H5NO2.In/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);
InChIKeyFPRJIIDRUBGNGA-UHFFFAOYSA-N
MW237.93 g/mol
LogP0.40
Rot. Bonds1

About CID 175246691

CID 175246691 (PubChem CID 175246691) has the molecular formula C6H5InNO2 and a molecular weight of 237.93 g/mol.

Molecular Properties

Compound NameCID 175246691
PubChem CID175246691
Molecular FormulaC6H5InNO2
Molecular Weight237.93 g/mol
Exact Mass237.94
IUPAC Name—
SMILESO=C(O)c1ccccn1.[In]
InChIInChI=1S/C6H5NO2.In/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);
InChIKeyFPRJIIDRUBGNGA-UHFFFAOYSA-N
XLogP0.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.93
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 175246691?
The IUPAC name of CID 175246691 (CID 175246691) is not available.
What is the SMILES notation for CID 175246691?
The canonical SMILES for CID 175246691 is O=C(O)c1ccccn1.[In].
What is the InChIKey of CID 175246691?
The InChIKey is FPRJIIDRUBGNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.In/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);.
What are the key properties of CID 175246691?
CID 175246691 has a molecular weight of 237.93 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175246691 is sourced from PubChem (CID 175246691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).