CID 10264721

C11H7N2OSe — CID 10264721

IUPAC—
SMILESCOc1ccc2cc(C#N)c([Se])nc2c1
InChIInChI=1S/C11H7N2OSe/c1-14-9-3-2-7-4-8(6-12)11(15)13-10(7)5-9/h2-5H,1H3
InChIKeyGEDWGRYKOSSUSH-UHFFFAOYSA-N
MW262.15 g/mol
LogP0.91
Rot. Bonds1

About CID 10264721

CID 10264721 (PubChem CID 10264721) has the molecular formula C11H7N2OSe and a molecular weight of 262.15 g/mol.

Molecular Properties

Compound NameCID 10264721
PubChem CID10264721
Molecular FormulaC11H7N2OSe
Molecular Weight262.15 g/mol
Exact Mass262.97
IUPAC Name—
SMILESCOc1ccc2cc(C#N)c([Se])nc2c1
InChIInChI=1S/C11H7N2OSe/c1-14-9-3-2-7-4-8(6-12)11(15)13-10(7)5-9/h2-5H,1H3
InChIKeyGEDWGRYKOSSUSH-UHFFFAOYSA-N
XLogP0.91
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylamino)-7-methoxyquinoline-3-carbonitrile
CID 865254
2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile
CID 855525
2-(3-chloro-4-methoxyanilino)-7-methoxyquinoline-3-carbonitrile
CID 5164967
7-methoxy-2,3-dimethylquinoline
CID 58717059
7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile
CID 855533
5-methoxy-2-(4-methoxyphenyl)-1,3-benzoxazole-7-carbonitrile
CID 22144541
7-methoxy-2-sulfanylidene-1H-quinoline-3-carbonitrile
CID 865244
2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 1450481
7-methoxybenzo[g]quinoline-3-carbonitrile
CID 70112486
7-methoxy-4-methylquinoline-2-carbonitrile
CID 82573251
6-methoxy-2-(4-methoxyphenyl)benzotriazole-4-carbonitrile
CID 22144546
7-fluoro-6-methoxyquinoline-2-carbonitrile
CID 102941351

Frequently Asked Questions

What is the IUPAC name of CID 10264721?
The IUPAC name of CID 10264721 (CID 10264721) is not available.
What is the SMILES notation for CID 10264721?
The canonical SMILES for CID 10264721 is COc1ccc2cc(C#N)c([Se])nc2c1.
What is the InChIKey of CID 10264721?
The InChIKey is GEDWGRYKOSSUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N2OSe/c1-14-9-3-2-7-4-8(6-12)11(15)13-10(7)5-9/h2-5H,1H3.
What are the key properties of CID 10264721?
CID 10264721 has a molecular weight of 262.15 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10264721 is sourced from PubChem (CID 10264721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).