CID 171655021

C8H7N2Sb — CID 171655021

IUPAC—
SMILESCc1cc2cnc([Sb])cc2[nH]1
InChIInChI=1S/C8H7N2.Sb/c1-6-4-7-5-9-3-2-8(7)10-6;/h2,4-5,10H,1H3;
InChIKeyOTKBRXRSZPDBBQ-UHFFFAOYSA-N
MW252.92 g/mol
LogP0.67
Rot. Bonds

About CID 171655021

CID 171655021 (PubChem CID 171655021) has the molecular formula C8H7N2Sb and a molecular weight of 252.92 g/mol.

Molecular Properties

Compound NameCID 171655021
PubChem CID171655021
Molecular FormulaC8H7N2Sb
Molecular Weight252.92 g/mol
Exact Mass251.96
IUPAC Name—
SMILESCc1cc2cnc([Sb])cc2[nH]1
InChIInChI=1S/C8H7N2.Sb/c1-6-4-7-5-9-3-2-8(7)10-6;/h2,4-5,10H,1H3;
InChIKeyOTKBRXRSZPDBBQ-UHFFFAOYSA-N
XLogP0.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.92
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5,6-dibromo-2-methyl-1H-indole
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ethane;5-methoxy-2-methyl-1H-pyrrolo[2,3-c]pyridine
CID 170611768
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CID 130063636
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CID 12524049
5,6-dimethoxy-2-methyl-1H-indole;ethane
CID 171088058
benzene;2-methyl-1H-indole
CID 158804583
2-methyl-1H-indole;hydrofluoride
CID 163912177
2-methyl-6-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine;pyridine;pyrrolidine-1-carbaldehyde
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6-amino-2-methyl-1H-indol-5-ol
CID 18779326

Frequently Asked Questions

What is the IUPAC name of CID 171655021?
The IUPAC name of CID 171655021 (CID 171655021) is not available.
What is the SMILES notation for CID 171655021?
The canonical SMILES for CID 171655021 is Cc1cc2cnc([Sb])cc2[nH]1.
What is the InChIKey of CID 171655021?
The InChIKey is OTKBRXRSZPDBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2.Sb/c1-6-4-7-5-9-3-2-8(7)10-6;/h2,4-5,10H,1H3;.
What are the key properties of CID 171655021?
CID 171655021 has a molecular weight of 252.92 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171655021 is sourced from PubChem (CID 171655021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).