2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid

C11H7IO4 — CID 90954227

IUPAC2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(O)c(I)c(O)c2ccccc12
InChIInChI=1S/C11H7IO4/c12-8-9(13)6-4-2-1-3-5(6)7(10(8)14)11(15)16/h1-4,13-14H,(H,15,16)
InChIKeyDDFLJYSBFIWFGO-UHFFFAOYSA-N
MW330.08 g/mol
LogP2.55
Rot. Bonds1

About 2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid

2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid (PubChem CID 90954227) has the molecular formula C11H7IO4 and a molecular weight of 330.08 g/mol. Its IUPAC name is 2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid
PubChem CID90954227
Molecular FormulaC11H7IO4
Molecular Weight330.08 g/mol
Exact Mass329.94
IUPAC Name2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(O)c(I)c(O)c2ccccc12
InChIInChI=1S/C11H7IO4/c12-8-9(13)6-4-2-1-3-5(6)7(10(8)14)11(15)16/h1-4,13-14H,(H,15,16)
InChIKeyDDFLJYSBFIWFGO-UHFFFAOYSA-N
XLogP2.55
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.08
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid
CID 101198518
2,3,5-trihydroxynaphthalene-1-carboxylic acid
CID 57055714
4-amino-3-hydroxynaphthalene-1,2-dicarboxylic acid
CID 139899447
2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid
CID 174931024
6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid
CID 11448226
acetic acid;phenanthrene-9,10-diol
CID 71435568
2-hydroxynaphthalene-1,4-dicarboxylic acid
CID 70121487
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
CID 70582995
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
10-(10-carboxyphenanthrene-9-carbonyl)oxycarbonylphenanthrene-9-carboxylic acid
CID 87985720
2,3,4-trimethylnaphthalene-1-carboxylic acid
CID 14435026
4-bromo-2-fluoronaphthalene-1-carboxylic acid
CID 170334354

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid?
The IUPAC name of 2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid (CID 90954227) is 2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid.
What is the SMILES notation for 2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid?
The canonical SMILES for 2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid is O=C(O)c1c(O)c(I)c(O)c2ccccc12.
What is the InChIKey of 2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid?
The InChIKey is DDFLJYSBFIWFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IO4/c12-8-9(13)6-4-2-1-3-5(6)7(10(8)14)11(15)16/h1-4,13-14H,(H,15,16).
What are the key properties of 2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid?
2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid has a molecular weight of 330.08 g/mol, XLogP of 2.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid is sourced from PubChem (CID 90954227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).