CID 59526713

C8H5F2N4- — CID 59526713

IUPAC—
SMILES[CH2-]n1nnc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C8H5F2N4/c1-14-12-8(11-13-14)5-2-3-6(9)7(10)4-5/h2-4H,1H2/q-1
InChIKeyRWUWTYCQDAAECK-UHFFFAOYSA-N
MW195.15 g/mol
LogP1.26
Rot. Bonds1

About CID 59526713

CID 59526713 (PubChem CID 59526713) has the molecular formula C8H5F2N4- and a molecular weight of 195.15 g/mol.

Molecular Properties

Compound NameCID 59526713
PubChem CID59526713
Molecular FormulaC8H5F2N4-
Molecular Weight195.15 g/mol
Exact Mass195.05
IUPAC Name—
SMILES[CH2-]n1nnc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C8H5F2N4/c1-14-12-8(11-13-14)5-2-3-6(9)7(10)4-5/h2-4H,1H2/q-1
InChIKeyRWUWTYCQDAAECK-UHFFFAOYSA-N
XLogP1.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59526713?
The IUPAC name of CID 59526713 (CID 59526713) is not available.
What is the SMILES notation for CID 59526713?
The canonical SMILES for CID 59526713 is [CH2-]n1nnc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of CID 59526713?
The InChIKey is RWUWTYCQDAAECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N4/c1-14-12-8(11-13-14)5-2-3-6(9)7(10)4-5/h2-4H,1H2/q-1.
What are the key properties of CID 59526713?
CID 59526713 has a molecular weight of 195.15 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59526713 is sourced from PubChem (CID 59526713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).