CID 174859636

C9H10BN2 — CID 174859636

IUPAC—
SMILESN.[B].c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.B.H3N/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-7H;;1H3
InChIKeyQRFNFYOQPSKXFC-UHFFFAOYSA-N
MW157.00 g/mol
LogP2.02
Rot. Bonds

About CID 174859636

CID 174859636 (PubChem CID 174859636) has the molecular formula C9H10BN2 and a molecular weight of 157.00 g/mol.

Molecular Properties

Compound NameCID 174859636
PubChem CID174859636
Molecular FormulaC9H10BN2
Molecular Weight157.00 g/mol
Exact Mass157.09
IUPAC Name—
SMILESN.[B].c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.B.H3N/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-7H;;1H3
InChIKeyQRFNFYOQPSKXFC-UHFFFAOYSA-N
XLogP2.02
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.00
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

quinoline
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quinoline;silver
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osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
quinoline;titanium;hydrate
CID 174714429
quinoline;quinoxaline
CID 66672759
quinoline;hydrochloride;hydroiodide
CID 161378453
nickel(2+);quinoline;diiodide
CID 162206226
CID 160566295
CID 160566295

Frequently Asked Questions

What is the IUPAC name of CID 174859636?
The IUPAC name of CID 174859636 (CID 174859636) is not available.
What is the SMILES notation for CID 174859636?
The canonical SMILES for CID 174859636 is N.[B].c1ccc2ncccc2c1.
What is the InChIKey of CID 174859636?
The InChIKey is QRFNFYOQPSKXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.B.H3N/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-7H;;1H3.
What are the key properties of CID 174859636?
CID 174859636 has a molecular weight of 157.00 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174859636 is sourced from PubChem (CID 174859636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).