5-chloro-8-methylnaphthalene-1-carboxylic acid

C12H9ClO2 — CID 121008568

IUPAC5-chloro-8-methylnaphthalene-1-carboxylic acid
SMILESCc1ccc(Cl)c2cccc(C(=O)O)c12
InChIInChI=1S/C12H9ClO2/c1-7-5-6-10(13)8-3-2-4-9(11(7)8)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyVSQTWBHGPYLJAT-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.50
Rot. Bonds1

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

5-chloro-8-methylnaphthalene-1-carboxylic acid (PubChem CID 121008568) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 5-chloro-8-methylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-chloro-8-methylnaphthalene-1-carboxylic acid
PubChem CID121008568
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name5-chloro-8-methylnaphthalene-1-carboxylic acid
SMILESCc1ccc(Cl)c2cccc(C(=O)O)c12
InChIInChI=1S/C12H9ClO2/c1-7-5-6-10(13)8-3-2-4-9(11(7)8)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyVSQTWBHGPYLJAT-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-8-methylnaphthalene-1-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

8-bromo-5-chloronaphthalene-1-carboxylic acid
CID 170119211
8-chloro-5-hydroxynaphthalene-1-carboxylic acid
CID 139711349
4,5-dichloronaphthalene-1-carboxylic acid
CID 56990997
8-chloro-5-nitronaphthalene-1-carboxylic acid
CID 131851989
2-chloro-5-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405271
4-amino-3-chloronaphthalene-1,8-dicarboxylic acid
CID 142641737
7,8-dichloro-9H-carbazole-1-carboxylic acid
CID 21399926
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
CID 2993699
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid
CID 174362304

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methylnaphthalene-1-carboxylic acid?
The IUPAC name of 5-chloro-8-methylnaphthalene-1-carboxylic acid (CID 121008568) is 5-chloro-8-methylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 5-chloro-8-methylnaphthalene-1-carboxylic acid?
The canonical SMILES for 5-chloro-8-methylnaphthalene-1-carboxylic acid is Cc1ccc(Cl)c2cccc(C(=O)O)c12.
What is the InChIKey of 5-chloro-8-methylnaphthalene-1-carboxylic acid?
The InChIKey is VSQTWBHGPYLJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c1-7-5-6-10(13)8-3-2-4-9(11(7)8)12(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 5-chloro-8-methylnaphthalene-1-carboxylic acid?
5-chloro-8-methylnaphthalene-1-carboxylic acid has a molecular weight of 220.66 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 121008568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).