6-chloronaphthalene-2-carboxylic acid

C11H7ClO2 — CID 13288327

IUPAC6-chloronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C11H7ClO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
InChIKeySRISHMVSUHENAI-UHFFFAOYSA-N
MW206.63 g/mol
LogP3.19
Rot. Bonds1

About 6-chloronaphthalene-2-carboxylic acid

6-chloronaphthalene-2-carboxylic acid (PubChem CID 13288327) has the molecular formula C11H7ClO2 and a molecular weight of 206.63 g/mol. Its IUPAC name is 6-chloronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-chloronaphthalene-2-carboxylic acid
PubChem CID13288327
Molecular FormulaC11H7ClO2
Molecular Weight206.63 g/mol
Exact Mass206.01
IUPAC Name6-chloronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C11H7ClO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
InChIKeySRISHMVSUHENAI-UHFFFAOYSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloronaphthalene-2-carboxylic acid?
The IUPAC name of 6-chloronaphthalene-2-carboxylic acid (CID 13288327) is 6-chloronaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-chloronaphthalene-2-carboxylic acid?
The canonical SMILES for 6-chloronaphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(Cl)ccc2c1.
What is the InChIKey of 6-chloronaphthalene-2-carboxylic acid?
The InChIKey is SRISHMVSUHENAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14).
What are the key properties of 6-chloronaphthalene-2-carboxylic acid?
6-chloronaphthalene-2-carboxylic acid has a molecular weight of 206.63 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloronaphthalene-2-carboxylic acid is sourced from PubChem (CID 13288327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).