naphthalene-1-carbaldehyde;hydroiodide

C11H9IO — CID 172736279

IUPACnaphthalene-1-carbaldehyde;hydroiodide
SMILESI.O=Cc1cccc2ccccc12
InChIInChI=1S/C11H8O.HI/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-8H;1H
InChIKeyQSQOTYNNAGPYHQ-UHFFFAOYSA-N
MW284.10 g/mol
LogP3.27
Rot. Bonds1

About naphthalene-1-carbaldehyde;hydroiodide

naphthalene-1-carbaldehyde;hydroiodide (PubChem CID 172736279) has the molecular formula C11H9IO and a molecular weight of 284.10 g/mol. Its IUPAC name is naphthalene-1-carbaldehyde;hydroiodide.

Molecular Properties

Compound Namenaphthalene-1-carbaldehyde;hydroiodide
PubChem CID172736279
Molecular FormulaC11H9IO
Molecular Weight284.10 g/mol
Exact Mass283.97
IUPAC Namenaphthalene-1-carbaldehyde;hydroiodide
SMILESI.O=Cc1cccc2ccccc12
InChIInChI=1S/C11H8O.HI/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-8H;1H
InChIKeyQSQOTYNNAGPYHQ-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-1-carbaldehyde;zinc
CID 88790891
CID 174925205
CID 174925205
2-methoxy-3-naphthalen-1-ylbenzaldehyde
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1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde
CID 175310199
7-methylnaphthalene-1-carbaldehyde
CID 15657410
diethyl 2-(naphthalen-1-ylmethylidene)propanedioate;naphthalene-1-carbaldehyde
CID 161000803
10-methoxyanthracene-1-carbaldehyde
CID 139642405
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
2-naphthalen-1-ylethenamine
CID 69243468
1-(2-bromoethenyl)naphthalene
CID 71403351
(Z)-2-bromo-3-naphthalen-1-ylprop-2-enal
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6H-naphthalen-6-ide-1-carbaldehyde;yttrium
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Frequently Asked Questions

What is the IUPAC name of naphthalene-1-carbaldehyde;hydroiodide?
The IUPAC name of naphthalene-1-carbaldehyde;hydroiodide (CID 172736279) is naphthalene-1-carbaldehyde;hydroiodide.
What is the SMILES notation for naphthalene-1-carbaldehyde;hydroiodide?
The canonical SMILES for naphthalene-1-carbaldehyde;hydroiodide is I.O=Cc1cccc2ccccc12.
What is the InChIKey of naphthalene-1-carbaldehyde;hydroiodide?
The InChIKey is QSQOTYNNAGPYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O.HI/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-8H;1H.
What are the key properties of naphthalene-1-carbaldehyde;hydroiodide?
naphthalene-1-carbaldehyde;hydroiodide has a molecular weight of 284.10 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-carbaldehyde;hydroiodide is sourced from PubChem (CID 172736279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).