CID 145160361

C14H9B2FN2O4 — CID 145160361

IUPAC—
SMILES[B]c1cc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc(F)c1[B]
InChIInChI=1S/C14H9B2FN2O4/c15-8-1-6(2-9(17)12(8)16)7-3-10(20)13(18-4-7)14(23)19-5-11(21)22/h1-4,20H,5H2,(H,19,23)(H,21,22)
InChIKeyJJKSYXHDEYVUKA-UHFFFAOYSA-N
MW309.86 g/mol
LogP-1.00
Rot. Bonds4

About CID 145160361

CID 145160361 (PubChem CID 145160361) has the molecular formula C14H9B2FN2O4 and a molecular weight of 309.86 g/mol.

Molecular Properties

Compound NameCID 145160361
PubChem CID145160361
Molecular FormulaC14H9B2FN2O4
Molecular Weight309.86 g/mol
Exact Mass310.07
IUPAC Name—
SMILES[B]c1cc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc(F)c1[B]
InChIInChI=1S/C14H9B2FN2O4/c15-8-1-6(2-9(17)12(8)16)7-3-10(20)13(18-4-7)14(23)19-5-11(21)22/h1-4,20H,5H2,(H,19,23)(H,21,22)
InChIKeyJJKSYXHDEYVUKA-UHFFFAOYSA-N
XLogP-1.00
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 145160361?
The IUPAC name of CID 145160361 (CID 145160361) is not available.
What is the SMILES notation for CID 145160361?
The canonical SMILES for CID 145160361 is [B]c1cc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc(F)c1[B].
What is the InChIKey of CID 145160361?
The InChIKey is JJKSYXHDEYVUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9B2FN2O4/c15-8-1-6(2-9(17)12(8)16)7-3-10(20)13(18-4-7)14(23)19-5-11(21)22/h1-4,20H,5H2,(H,19,23)(H,21,22).
What are the key properties of CID 145160361?
CID 145160361 has a molecular weight of 309.86 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145160361 is sourced from PubChem (CID 145160361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).