5-iodo-1,2,3,5-tetrahydroquinoline

C9H10IN — CID 171774591

IUPAC5-iodo-1,2,3,5-tetrahydroquinoline
SMILESIC1C=CC=C2NCCC=C21
InChIInChI=1S/C9H10IN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,3-5,8,11H,2,6H2
InChIKeyCSGOFABGVHIEKE-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.16
Rot. Bonds

About 5-iodo-1,2,3,5-tetrahydroquinoline

5-iodo-1,2,3,5-tetrahydroquinoline (PubChem CID 171774591) has the molecular formula C9H10IN and a molecular weight of 259.09 g/mol. Its IUPAC name is 5-iodo-1,2,3,5-tetrahydroquinoline.

Molecular Properties

Compound Name5-iodo-1,2,3,5-tetrahydroquinoline
PubChem CID171774591
Molecular FormulaC9H10IN
Molecular Weight259.09 g/mol
Exact Mass258.99
IUPAC Name5-iodo-1,2,3,5-tetrahydroquinoline
SMILESIC1C=CC=C2NCCC=C21
InChIInChI=1S/C9H10IN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,3-5,8,11H,2,6H2
InChIKeyCSGOFABGVHIEKE-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,7-diazabicyclo[6.5.0]trideca-1(13),8,10-triene
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7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole
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5-prop-1-en-2-yl-2,3-dihydro-1H-pyrrole
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5-morpholin-2-yl-2,3-dihydro-1H-pyridin-6-one
CID 174787408
2,3,5,6-tetrahydro-1H-indole
CID 89038750
5-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]-2,3-dihydro-1H-pyrrole
CID 141242170
2-(2,3-dihydro-1H-pyrrol-5-yl)-2-oxoacetaldehyde
CID 174649716
5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene
CID 90758670
5-methyl-3,4,4a,8a-tetrahydro-2H-isoquinolin-1-one
CID 138478027
5-propyl-2,3-dihydro-1H-pyrrole
CID 44718755

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1,2,3,5-tetrahydroquinoline?
The IUPAC name of 5-iodo-1,2,3,5-tetrahydroquinoline (CID 171774591) is 5-iodo-1,2,3,5-tetrahydroquinoline.
What is the SMILES notation for 5-iodo-1,2,3,5-tetrahydroquinoline?
The canonical SMILES for 5-iodo-1,2,3,5-tetrahydroquinoline is IC1C=CC=C2NCCC=C21.
What is the InChIKey of 5-iodo-1,2,3,5-tetrahydroquinoline?
The InChIKey is CSGOFABGVHIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,3-5,8,11H,2,6H2.
What are the key properties of 5-iodo-1,2,3,5-tetrahydroquinoline?
5-iodo-1,2,3,5-tetrahydroquinoline has a molecular weight of 259.09 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1,2,3,5-tetrahydroquinoline is sourced from PubChem (CID 171774591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).