CID 174027584

C14H10BNO — CID 174027584

IUPAC—
SMILES[B]Oc1ccccc1C1=Nc2ccccc2C1
InChIInChI=1S/C14H10BNO/c15-17-14-8-4-2-6-11(14)13-9-10-5-1-3-7-12(10)16-13/h1-8H,9H2
InChIKeyDBXCEFQHUPXVPY-UHFFFAOYSA-N
MW219.05 g/mol
LogP2.83
Rot. Bonds2

About CID 174027584

CID 174027584 (PubChem CID 174027584) has the molecular formula C14H10BNO and a molecular weight of 219.05 g/mol.

Molecular Properties

Compound NameCID 174027584
PubChem CID174027584
Molecular FormulaC14H10BNO
Molecular Weight219.05 g/mol
Exact Mass219.09
IUPAC Name—
SMILES[B]Oc1ccccc1C1=Nc2ccccc2C1
InChIInChI=1S/C14H10BNO/c15-17-14-8-4-2-6-11(14)13-9-10-5-1-3-7-12(10)16-13/h1-8H,9H2
InChIKeyDBXCEFQHUPXVPY-UHFFFAOYSA-N
XLogP2.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
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benzene;ethane;2-phenyl-3H-indole
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2-(2,5-dimethylphenyl)-3H-indole
CID 118351581
CID 20813056
CID 20813056
ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate
CID 158468620
2-(1H-indol-3-yl)-3H-indole
CID 163416742
4-chloro-2-(3H-indol-2-yl)phenol
CID 158565703
3H-indole-2-carbonitrile
CID 66725406
2-(3H-pyrrol-2-yl)-3H-indole
CID 58491277
ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate;2-(2-hydroxyphenyl)-3,5-dihydro-1-benzazepin-4-one;methane
CID 161450069
2-fluoro-3H-indole
CID 174790270
5-fluoro-3-(3H-indol-2-yl)-1H-indol-2-ol
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Frequently Asked Questions

What is the IUPAC name of CID 174027584?
The IUPAC name of CID 174027584 (CID 174027584) is not available.
What is the SMILES notation for CID 174027584?
The canonical SMILES for CID 174027584 is [B]Oc1ccccc1C1=Nc2ccccc2C1.
What is the InChIKey of CID 174027584?
The InChIKey is DBXCEFQHUPXVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BNO/c15-17-14-8-4-2-6-11(14)13-9-10-5-1-3-7-12(10)16-13/h1-8H,9H2.
What are the key properties of CID 174027584?
CID 174027584 has a molecular weight of 219.05 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174027584 is sourced from PubChem (CID 174027584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).