CID 73212627

C12H10FN2O2 — CID 73212627

IUPAC—
SMILESO=c1[nH]c(=O)n(C/C=C/[C]2[CH][CH][CH][CH]2)cc1F
InChIInChI=1S/C12H10FN2O2/c13-10-8-15(12(17)14-11(10)16)7-3-6-9-4-1-2-5-9/h1-6,8H,7H2,(H,14,16,17)/b6-3+
InChIKeyHVGFQPHQMRIKGM-ZZXKWVIFSA-N
MW233.22 g/mol
LogP0.64
Rot. Bonds3

About CID 73212627

CID 73212627 (PubChem CID 73212627) has the molecular formula C12H10FN2O2 and a molecular weight of 233.22 g/mol.

Molecular Properties

Compound NameCID 73212627
PubChem CID73212627
Molecular FormulaC12H10FN2O2
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name—
SMILESO=c1[nH]c(=O)n(C/C=C/[C]2[CH][CH][CH][CH]2)cc1F
InChIInChI=1S/C12H10FN2O2/c13-10-8-15(12(17)14-11(10)16)7-3-6-9-4-1-2-5-9/h1-6,8H,7H2,(H,14,16,17)/b6-3+
InChIKeyHVGFQPHQMRIKGM-ZZXKWVIFSA-N
XLogP0.64
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 73212627?
The IUPAC name of CID 73212627 (CID 73212627) is not available.
What is the SMILES notation for CID 73212627?
The canonical SMILES for CID 73212627 is O=c1[nH]c(=O)n(C/C=C/[C]2[CH][CH][CH][CH]2)cc1F.
What is the InChIKey of CID 73212627?
The InChIKey is HVGFQPHQMRIKGM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C12H10FN2O2/c13-10-8-15(12(17)14-11(10)16)7-3-6-9-4-1-2-5-9/h1-6,8H,7H2,(H,14,16,17)/b6-3+.
What are the key properties of CID 73212627?
CID 73212627 has a molecular weight of 233.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73212627 is sourced from PubChem (CID 73212627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).