CID 174527216

C9H8NO2Sn — CID 174527216

IUPAC—
SMILESCOc1ccc([Sn])c(OC)c1C#N
InChIInChI=1S/C9H8NO2.Sn/c1-11-8-4-3-5-9(12-2)7(8)6-10;/h3-4H,1-2H3;
InChIKeyRAGDYBFSVRHRNI-UHFFFAOYSA-N
MW280.88 g/mol
LogP0.37
Rot. Bonds2

About CID 174527216

CID 174527216 (PubChem CID 174527216) has the molecular formula C9H8NO2Sn and a molecular weight of 280.88 g/mol.

Molecular Properties

Compound NameCID 174527216
PubChem CID174527216
Molecular FormulaC9H8NO2Sn
Molecular Weight280.88 g/mol
Exact Mass281.96
IUPAC Name—
SMILESCOc1ccc([Sn])c(OC)c1C#N
InChIInChI=1S/C9H8NO2.Sn/c1-11-8-4-3-5-9(12-2)7(8)6-10;/h3-4H,1-2H3;
InChIKeyRAGDYBFSVRHRNI-UHFFFAOYSA-N
XLogP0.37
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.88
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 174527216 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

6-methoxyquinoline-5-carbonitrile
CID 603537
2-amino-6-bromo-3-methoxybenzonitrile
CID 82013372
6-(cyanomethylamino)-2,3-dimethoxybenzonitrile
CID 102169202
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
2-fluoro-6-methoxy-3-sulfanylbenzonitrile
CID 171022670
3-methoxy-2,6-dimethylbenzonitrile
CID 118999351
methyl 2-cyano-3,4-dimethoxybenzoate
CID 134647076
2-methoxynaphthalene-1,4-dicarbonitrile
CID 169050362
methyl 2-[3-cyano-2-(difluoromethoxy)-4-methoxyphenyl]acetate
CID 134635055
3,4,5-trimethoxybenzene-1,2-dicarbonitrile
CID 162965127
2,3-dimethoxynaphthalene-1-carbonitrile
CID 177120866
5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile
CID 11077097

Frequently Asked Questions

What is the IUPAC name of CID 174527216?
The IUPAC name of CID 174527216 (CID 174527216) is not available.
What is the SMILES notation for CID 174527216?
The canonical SMILES for CID 174527216 is COc1ccc([Sn])c(OC)c1C#N.
What is the InChIKey of CID 174527216?
The InChIKey is RAGDYBFSVRHRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO2.Sn/c1-11-8-4-3-5-9(12-2)7(8)6-10;/h3-4H,1-2H3;.
What are the key properties of CID 174527216?
CID 174527216 has a molecular weight of 280.88 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174527216 is sourced from PubChem (CID 174527216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).