5-chloro-2-iodooxynaphthalene-1-carboxylic acid

C11H6ClIO3 — CID 174418855

IUPAC5-chloro-2-iodooxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(OI)ccc2c(Cl)cccc12
InChIInChI=1S/C11H6ClIO3/c12-8-3-1-2-7-6(8)4-5-9(16-13)10(7)11(14)15/h1-5H,(H,14,15)
InChIKeyJLJCIZHOOLFPTQ-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.92
Rot. Bonds2

About 5-chloro-2-iodooxynaphthalene-1-carboxylic acid

5-chloro-2-iodooxynaphthalene-1-carboxylic acid (PubChem CID 174418855) has the molecular formula C11H6ClIO3 and a molecular weight of 348.52 g/mol. Its IUPAC name is 5-chloro-2-iodooxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-iodooxynaphthalene-1-carboxylic acid
PubChem CID174418855
Molecular FormulaC11H6ClIO3
Molecular Weight348.52 g/mol
Exact Mass347.91
IUPAC Name5-chloro-2-iodooxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(OI)ccc2c(Cl)cccc12
InChIInChI=1S/C11H6ClIO3/c12-8-3-1-2-7-6(8)4-5-9(16-13)10(7)11(14)15/h1-5H,(H,14,15)
InChIKeyJLJCIZHOOLFPTQ-UHFFFAOYSA-N
XLogP3.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 11251659
CID 11251659
2-methoxy-5-(trifluoromethylsulfanyl)naphthalene-1-carboxylic acid
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2,7-dichloro-1-benzofuran-3-carboxylic acid
CID 83823886
(5-chloronaphthalene-1-carbonyl) 5-chloronaphthalene-1-carboxylate
CID 87755964
2-chloro-6-propan-2-yloxybenzoic acid
CID 28604889
10-(10-carboxyphenanthrene-9-carbonyl)oxycarbonylphenanthrene-9-carboxylic acid
CID 87985720
2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809
(5-chloro-2-methoxynaphthalen-1-yl)boronic acid
CID 168880110
2-bromo-7-chloro-1H-indole-3-carboxylic acid
CID 83826113
2,6-dichlorobenzoic acid;2,2,2-trifluoroacetic acid
CID 68862706
3-chlorophthalic acid;phthalic acid
CID 174649164

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodooxynaphthalene-1-carboxylic acid?
The IUPAC name of 5-chloro-2-iodooxynaphthalene-1-carboxylic acid (CID 174418855) is 5-chloro-2-iodooxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 5-chloro-2-iodooxynaphthalene-1-carboxylic acid?
The canonical SMILES for 5-chloro-2-iodooxynaphthalene-1-carboxylic acid is O=C(O)c1c(OI)ccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-2-iodooxynaphthalene-1-carboxylic acid?
The InChIKey is JLJCIZHOOLFPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClIO3/c12-8-3-1-2-7-6(8)4-5-9(16-13)10(7)11(14)15/h1-5H,(H,14,15).
What are the key properties of 5-chloro-2-iodooxynaphthalene-1-carboxylic acid?
5-chloro-2-iodooxynaphthalene-1-carboxylic acid has a molecular weight of 348.52 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodooxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 174418855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).