CID 174643817

C10H8BNO — CID 174643817

IUPAC—
SMILES[B]C=O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.CHBO/c1-2-6-9-8(4-1)5-3-7-10-9;2-1-3/h1-7H;1H
InChIKeyGOHSWPQQVZILBF-UHFFFAOYSA-N
MW168.99 g/mol
LogP1.58
Rot. Bonds

About CID 174643817

CID 174643817 (PubChem CID 174643817) has the molecular formula C10H8BNO and a molecular weight of 168.99 g/mol.

Molecular Properties

Compound NameCID 174643817
PubChem CID174643817
Molecular FormulaC10H8BNO
Molecular Weight168.99 g/mol
Exact Mass169.07
IUPAC Name—
SMILES[B]C=O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.CHBO/c1-2-6-9-8(4-1)5-3-7-10-9;2-1-3/h1-7H;1H
InChIKeyGOHSWPQQVZILBF-UHFFFAOYSA-N
XLogP1.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.99
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

quinoline
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platinum(2+);quinoline
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CID 159709187
ethene;formaldehyde;quinoline
CID 142226527
quinoline;titanium;hydrate
CID 174714429
quinoline;quinoxaline
CID 66672759
quinoline;hydrochloride;hydroiodide
CID 161378453
nickel(2+);quinoline;diiodide
CID 162206226

Frequently Asked Questions

What is the IUPAC name of CID 174643817?
The IUPAC name of CID 174643817 (CID 174643817) is not available.
What is the SMILES notation for CID 174643817?
The canonical SMILES for CID 174643817 is [B]C=O.c1ccc2ncccc2c1.
What is the InChIKey of CID 174643817?
The InChIKey is GOHSWPQQVZILBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.CHBO/c1-2-6-9-8(4-1)5-3-7-10-9;2-1-3/h1-7H;1H.
What are the key properties of CID 174643817?
CID 174643817 has a molecular weight of 168.99 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174643817 is sourced from PubChem (CID 174643817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).