CID 175967095

C15H13FLiN4O2 — CID 175967095

IUPAC—
SMILESCCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)O.[Li]
InChIInChI=1S/C15H13FN4O2.Li/c1-2-8-3-4-10(13(16)12(8)14(21)22)9-5-6-20-11(7-9)18-15(17)19-20;/h3-7H,2H2,1H3,(H2,17,19)(H,21,22);
InChIKeyHXEOMXJUQUQTHE-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.00
Rot. Bonds3

About CID 175967095

CID 175967095 (PubChem CID 175967095) has the molecular formula C15H13FLiN4O2 and a molecular weight of 307.23 g/mol.

Molecular Properties

Compound NameCID 175967095
PubChem CID175967095
Molecular FormulaC15H13FLiN4O2
Molecular Weight307.23 g/mol
Exact Mass307.12
IUPAC Name—
SMILESCCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)O.[Li]
InChIInChI=1S/C15H13FN4O2.Li/c1-2-8-3-4-10(13(16)12(8)14(21)22)9-5-6-20-11(7-9)18-15(17)19-20;/h3-7H,2H2,1H3,(H2,17,19)(H,21,22);
InChIKeyHXEOMXJUQUQTHE-UHFFFAOYSA-N
XLogP2.00
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 175967095?
The IUPAC name of CID 175967095 (CID 175967095) is not available.
What is the SMILES notation for CID 175967095?
The canonical SMILES for CID 175967095 is CCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)O.[Li].
What is the InChIKey of CID 175967095?
The InChIKey is HXEOMXJUQUQTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2.Li/c1-2-8-3-4-10(13(16)12(8)14(21)22)9-5-6-20-11(7-9)18-15(17)19-20;/h3-7H,2H2,1H3,(H2,17,19)(H,21,22);.
What are the key properties of CID 175967095?
CID 175967095 has a molecular weight of 307.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175967095 is sourced from PubChem (CID 175967095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).