CID 178157154

C14H8BFN4O — CID 178157154

IUPAC—
SMILES[B]c1cnc(-n2cc3c(n2)-c2cccnc2OC3)c(F)c1
InChIInChI=1S/C14H8BFN4O/c15-9-4-11(16)13(18-5-9)20-6-8-7-21-14-10(12(8)19-20)2-1-3-17-14/h1-6H,7H2
InChIKeyDIFLYRJIMWHJBR-UHFFFAOYSA-N
MW278.06 g/mol
LogP1.15
Rot. Bonds1

About CID 178157154

CID 178157154 (PubChem CID 178157154) has the molecular formula C14H8BFN4O and a molecular weight of 278.06 g/mol.

Molecular Properties

Compound NameCID 178157154
PubChem CID178157154
Molecular FormulaC14H8BFN4O
Molecular Weight278.06 g/mol
Exact Mass278.08
IUPAC Name—
SMILES[B]c1cnc(-n2cc3c(n2)-c2cccnc2OC3)c(F)c1
InChIInChI=1S/C14H8BFN4O/c15-9-4-11(16)13(18-5-9)20-6-8-7-21-14-10(12(8)19-20)2-1-3-17-14/h1-6H,7H2
InChIKeyDIFLYRJIMWHJBR-UHFFFAOYSA-N
XLogP1.15
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 178157154?
The IUPAC name of CID 178157154 (CID 178157154) is not available.
What is the SMILES notation for CID 178157154?
The canonical SMILES for CID 178157154 is [B]c1cnc(-n2cc3c(n2)-c2cccnc2OC3)c(F)c1.
What is the InChIKey of CID 178157154?
The InChIKey is DIFLYRJIMWHJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BFN4O/c15-9-4-11(16)13(18-5-9)20-6-8-7-21-14-10(12(8)19-20)2-1-3-17-14/h1-6H,7H2.
What are the key properties of CID 178157154?
CID 178157154 has a molecular weight of 278.06 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178157154 is sourced from PubChem (CID 178157154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).