CID 177047265

C8H5BN2 — CID 177047265

IUPAC—
SMILES[B]c1ccc2cccnc2n1
InChIInChI=1S/C8H5BN2/c9-7-4-3-6-2-1-5-10-8(6)11-7/h1-5H
InChIKeyLRGZHDKJORVPET-UHFFFAOYSA-N
MW139.95 g/mol
LogP0.42
Rot. Bonds

About CID 177047265

CID 177047265 (PubChem CID 177047265) has the molecular formula C8H5BN2 and a molecular weight of 139.95 g/mol.

Molecular Properties

Compound NameCID 177047265
PubChem CID177047265
Molecular FormulaC8H5BN2
Molecular Weight139.95 g/mol
Exact Mass140.05
IUPAC Name—
SMILES[B]c1ccc2cccnc2n1
InChIInChI=1S/C8H5BN2/c9-7-4-3-6-2-1-5-10-8(6)11-7/h1-5H
InChIKeyLRGZHDKJORVPET-UHFFFAOYSA-N
XLogP0.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.95
LogP ≤ 50.42
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

coronene;1,8-naphthyridine
CID 87840875
CID 177046981
CID 177046981
N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine
CID 45117995
1,8-naphthyridine;propane
CID 142433930
2-ethoxy-1,8-naphthyridine
CID 4053994
1,8-naphthyridine-2-carbonyl chloride
CID 129321879
1-(1,8-naphthyridin-2-yl)ethanol
CID 130366439
1,8-naphthyridine;piperazine
CID 157389388
1,8-naphthyridin-2-amine;pyrimidine;hydrobromide
CID 175472376
2-(triazin-4-yl)-1,8-naphthyridine
CID 175179815
2-pentyl-1,8-naphthyridine
CID 11481079
2-(methoxymethyl)-1,8-naphthyridine
CID 154147005

Frequently Asked Questions

What is the IUPAC name of CID 177047265?
The IUPAC name of CID 177047265 (CID 177047265) is not available.
What is the SMILES notation for CID 177047265?
The canonical SMILES for CID 177047265 is [B]c1ccc2cccnc2n1.
What is the InChIKey of CID 177047265?
The InChIKey is LRGZHDKJORVPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BN2/c9-7-4-3-6-2-1-5-10-8(6)11-7/h1-5H.
What are the key properties of CID 177047265?
CID 177047265 has a molecular weight of 139.95 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177047265 is sourced from PubChem (CID 177047265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).