7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole

C16H10FN3 — CID 70957463

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IUPAC7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole
SMILES[18F]c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H/i17-1
InChIKeyGETAAWDSFUCLBS-SJPDSGJFSA-N
MW262.28 g/mol
LogP3.92
Rot. Bonds1

About 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole

7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole (PubChem CID 70957463) has the molecular formula C16H10FN3 and a molecular weight of 262.28 g/mol. Its IUPAC name is 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole
PubChem CID70957463
Molecular FormulaC16H10FN3
Molecular Weight262.28 g/mol
Exact Mass262.09
IUPAC Name7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole
SMILES[18F]c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1
InChIInChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H/i17-1
InChIKeyGETAAWDSFUCLBS-SJPDSGJFSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole?
The IUPAC name of 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole (CID 70957463) is 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole?
The canonical SMILES for 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole is [18F]c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.
What is the InChIKey of 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole?
The InChIKey is GETAAWDSFUCLBS-SJPDSGJFSA-N. The full InChI is InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H/i17-1.
What are the key properties of 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole?
7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole has a molecular weight of 262.28 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 70957463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).