8-chloro-5-hydroxynaphthalene-1-carboxylic acid

C11H7ClO3 — CID 139711349

IUPAC8-chloro-5-hydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(O)ccc(Cl)c12
InChIInChI=1S/C11H7ClO3/c12-8-4-5-9(13)6-2-1-3-7(10(6)8)11(14)15/h1-5,13H,(H,14,15)
InChIKeyLSZKWTYAZMMYFL-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.90
Rot. Bonds1

About 8-chloro-5-hydroxynaphthalene-1-carboxylic acid

8-chloro-5-hydroxynaphthalene-1-carboxylic acid (PubChem CID 139711349) has the molecular formula C11H7ClO3 and a molecular weight of 222.63 g/mol. Its IUPAC name is 8-chloro-5-hydroxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-chloro-5-hydroxynaphthalene-1-carboxylic acid
PubChem CID139711349
Molecular FormulaC11H7ClO3
Molecular Weight222.63 g/mol
Exact Mass222.01
IUPAC Name8-chloro-5-hydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(O)ccc(Cl)c12
InChIInChI=1S/C11H7ClO3/c12-8-4-5-9(13)6-2-1-3-7(10(6)8)11(14)15/h1-5,13H,(H,14,15)
InChIKeyLSZKWTYAZMMYFL-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

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Related Compounds

5,8-dihydroxynaphthalene-1-carboxylic acid
CID 68625233
8-chloro-5-nitronaphthalene-1-carboxylic acid
CID 131851989
4,5-dichloronaphthalene-1-carboxylic acid
CID 56990997
8-fluoro-4-hydroxynaphthalene-1-carboxylic acid
CID 115024417
5-chloro-8-methylnaphthalene-1-carboxylic acid
CID 121008568
8-bromo-5-chloronaphthalene-1-carboxylic acid
CID 170119211
5,6,7,8-tetrahydroxynaphthalene-1-carboxylic acid
CID 176912348
1,5-dichloroisoquinoline-4-carboxylic acid
CID 84703045
4-amino-3-chloronaphthalene-1,8-dicarboxylic acid
CID 142641737
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-hydroxynaphthalene-1-carboxylic acid?
The IUPAC name of 8-chloro-5-hydroxynaphthalene-1-carboxylic acid (CID 139711349) is 8-chloro-5-hydroxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 8-chloro-5-hydroxynaphthalene-1-carboxylic acid?
The canonical SMILES for 8-chloro-5-hydroxynaphthalene-1-carboxylic acid is O=C(O)c1cccc2c(O)ccc(Cl)c12.
What is the InChIKey of 8-chloro-5-hydroxynaphthalene-1-carboxylic acid?
The InChIKey is LSZKWTYAZMMYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO3/c12-8-4-5-9(13)6-2-1-3-7(10(6)8)11(14)15/h1-5,13H,(H,14,15).
What are the key properties of 8-chloro-5-hydroxynaphthalene-1-carboxylic acid?
8-chloro-5-hydroxynaphthalene-1-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 8-chloro-5-hydroxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 139711349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).