CID 90877038

C17H11BFNO — CID 90877038

IUPAC—
SMILES[B]C(=Cc1ccc(F)cc1)Oc1cccc2cccnc12
InChIInChI=1S/C17H11BFNO/c18-16(11-12-6-8-14(19)9-7-12)21-15-5-1-3-13-4-2-10-20-17(13)15/h1-11H
InChIKeyQDYXHHXXTGAECB-UHFFFAOYSA-N
MW275.09 g/mol
LogP3.92
Rot. Bonds3

About CID 90877038

CID 90877038 (PubChem CID 90877038) has the molecular formula C17H11BFNO and a molecular weight of 275.09 g/mol.

Molecular Properties

Compound NameCID 90877038
PubChem CID90877038
Molecular FormulaC17H11BFNO
Molecular Weight275.09 g/mol
Exact Mass275.09
IUPAC Name—
SMILES[B]C(=Cc1ccc(F)cc1)Oc1cccc2cccnc12
InChIInChI=1S/C17H11BFNO/c18-16(11-12-6-8-14(19)9-7-12)21-15-5-1-3-13-4-2-10-20-17(13)15/h1-11H
InChIKeyQDYXHHXXTGAECB-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

8-Hydroxyquinoline
CID 1923
Oxine-copper
CID 3032555
Benzoxiquine
CID 6855
6-Methoxyquinoline
CID 14860
5-Fluoro-8-quinolinol
CID 217907
2-Amino-4-phenyl-4H-pyrano[3,2-H]quinoline-3-carbonitrile
CID 364824
Indium In-111 Oxyquinoline
CID 119117
Stannane, (8-quinolinolato)tributyl-
CID 16683764
Quintiofos
CID 72069
8-Methoxy-2-Methylquinoline
CID 316986
4-Methyl-8-hydroxyquinoline
CID 345169
5-Chloro-8-phenoxyquinoline
CID 2767025

Frequently Asked Questions

What is the IUPAC name of CID 90877038?
The IUPAC name of CID 90877038 (CID 90877038) is not available.
What is the SMILES notation for CID 90877038?
The canonical SMILES for CID 90877038 is [B]C(=Cc1ccc(F)cc1)Oc1cccc2cccnc12.
What is the InChIKey of CID 90877038?
The InChIKey is QDYXHHXXTGAECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BFNO/c18-16(11-12-6-8-14(19)9-7-12)21-15-5-1-3-13-4-2-10-20-17(13)15/h1-11H.
What are the key properties of CID 90877038?
CID 90877038 has a molecular weight of 275.09 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90877038 is sourced from PubChem (CID 90877038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).