1-chloro-3-hydroxynaphthalene-2-carboxylic acid

C11H7ClO3 — CID 57137470

IUPAC1-chloro-3-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1c(O)cc2ccccc2c1Cl
InChIInChI=1S/C11H7ClO3/c12-10-7-4-2-1-3-6(7)5-8(13)9(10)11(14)15/h1-5,13H,(H,14,15)
InChIKeyJCEBPKASOVKHDA-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.90
Rot. Bonds1

About 1-chloro-3-hydroxynaphthalene-2-carboxylic acid

1-chloro-3-hydroxynaphthalene-2-carboxylic acid (PubChem CID 57137470) has the molecular formula C11H7ClO3 and a molecular weight of 222.63 g/mol. Its IUPAC name is 1-chloro-3-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-hydroxynaphthalene-2-carboxylic acid
PubChem CID57137470
Molecular FormulaC11H7ClO3
Molecular Weight222.63 g/mol
Exact Mass222.01
IUPAC Name1-chloro-3-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1c(O)cc2ccccc2c1Cl
InChIInChI=1S/C11H7ClO3/c12-10-7-4-2-1-3-6(7)5-8(13)9(10)11(14)15/h1-5,13H,(H,14,15)
InChIKeyJCEBPKASOVKHDA-UHFFFAOYSA-N
XLogP2.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-chloro-3-hydroxynaphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid
CID 101339177
2-hydroxynaphthalene-1,4-dicarboxylic acid
CID 70121487
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
(1-chloro-3-hydroxynaphthalen-2-yl)boronic acid
CID 156806580
(1,3-dichloronaphthalen-2-yl)-diphenylphosphorylmethanone
CID 22639250
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
2-bromooxycarbonyl-3-chloronaphthalene-1-carboxylic acid
CID 70631092
8-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 155346108
2-anilino-3-chloronaphthalene-1-carboxylic acid
CID 57143139
anthracene-9-carboxylic acid;trichloro(ethyl)silane
CID 87654089
1-(3,5-dihydroxynaphthalene-2-carbonyl)-3,5-dihydroxynaphthalene-2-carboxylic acid
CID 57055286
3-iodo-1-iodylnaphthalene-2-carboxylic acid
CID 23357987

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 1-chloro-3-hydroxynaphthalene-2-carboxylic acid (CID 57137470) is 1-chloro-3-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-chloro-3-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 1-chloro-3-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1c(O)cc2ccccc2c1Cl.
What is the InChIKey of 1-chloro-3-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is JCEBPKASOVKHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO3/c12-10-7-4-2-1-3-6(7)5-8(13)9(10)11(14)15/h1-5,13H,(H,14,15).
What are the key properties of 1-chloro-3-hydroxynaphthalene-2-carboxylic acid?
1-chloro-3-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 222.63 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 57137470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).