CID 177046981

C8H5N2Sn — CID 177046981

IUPAC—
SMILES[Sn]c1ccc2cccnc2n1
InChIInChI=1S/C8H5N2.Sn/c1-3-7-4-2-6-10-8(7)9-5-1;/h1-5H;
InChIKeyYHIAWYLMABTFJJ-UHFFFAOYSA-N
MW247.85 g/mol
LogP0.42
Rot. Bonds

About CID 177046981

CID 177046981 (PubChem CID 177046981) has the molecular formula C8H5N2Sn and a molecular weight of 247.85 g/mol.

Molecular Properties

Compound NameCID 177046981
PubChem CID177046981
Molecular FormulaC8H5N2Sn
Molecular Weight247.85 g/mol
Exact Mass248.95
IUPAC Name—
SMILES[Sn]c1ccc2cccnc2n1
InChIInChI=1S/C8H5N2.Sn/c1-3-7-4-2-6-10-8(7)9-5-1;/h1-5H;
InChIKeyYHIAWYLMABTFJJ-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 ≤ 500247.85
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 177046981 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

coronene;1,8-naphthyridine
CID 87840875
CID 177047265
CID 177047265
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-pentyl-1,8-naphthyridine
CID 11481079
2-(methoxymethyl)-1,8-naphthyridine
CID 154147005
2-(triazin-4-yl)-1,8-naphthyridine
CID 175179815

Frequently Asked Questions

What is the IUPAC name of CID 177046981?
The IUPAC name of CID 177046981 (CID 177046981) is not available.
What is the SMILES notation for CID 177046981?
The canonical SMILES for CID 177046981 is [Sn]c1ccc2cccnc2n1.
What is the InChIKey of CID 177046981?
The InChIKey is YHIAWYLMABTFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N2.Sn/c1-3-7-4-2-6-10-8(7)9-5-1;/h1-5H;.
What are the key properties of CID 177046981?
CID 177046981 has a molecular weight of 247.85 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 177046981 is sourced from PubChem (CID 177046981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).