6-chloronaphthalene-1-carboxylic acid

C11H7ClO2 — CID 13288328

IUPAC6-chloronaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cc(Cl)ccc12
InChIInChI=1S/C11H7ClO2/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6H,(H,13,14)
InChIKeySSQYFWFMNFKLBB-UHFFFAOYSA-N
MW206.63 g/mol
LogP3.19
Rot. Bonds1

About 6-chloronaphthalene-1-carboxylic acid

6-chloronaphthalene-1-carboxylic acid (PubChem CID 13288328) has the molecular formula C11H7ClO2 and a molecular weight of 206.63 g/mol. Its IUPAC name is 6-chloronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name6-chloronaphthalene-1-carboxylic acid
PubChem CID13288328
Molecular FormulaC11H7ClO2
Molecular Weight206.63 g/mol
Exact Mass206.01
IUPAC Name6-chloronaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cc(Cl)ccc12
InChIInChI=1S/C11H7ClO2/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6H,(H,13,14)
InChIKeySSQYFWFMNFKLBB-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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Related Compounds

6,7-difluoronaphthalene-1-carboxylic acid
CID 10856682
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid
CID 59590548
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
6-hydrazinylnaphthalene-1-carboxylic acid
CID 150501058
6-cyanonaphthalene-1-carboxylic acid
CID 22622245
6-ethynylnaphthalene-1-carboxylic acid
CID 22338976
5-carboxynaphthalene-2-diazonium
CID 155817948
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
1,4-dichlorobenzene;phthalic acid
CID 146444395
5-iodoanthracene-1-carboxylic acid
CID 139609518
(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
CID 43167267

Frequently Asked Questions

What is the IUPAC name of 6-chloronaphthalene-1-carboxylic acid?
The IUPAC name of 6-chloronaphthalene-1-carboxylic acid (CID 13288328) is 6-chloronaphthalene-1-carboxylic acid.
What is the SMILES notation for 6-chloronaphthalene-1-carboxylic acid?
The canonical SMILES for 6-chloronaphthalene-1-carboxylic acid is O=C(O)c1cccc2cc(Cl)ccc12.
What is the InChIKey of 6-chloronaphthalene-1-carboxylic acid?
The InChIKey is SSQYFWFMNFKLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6H,(H,13,14).
What are the key properties of 6-chloronaphthalene-1-carboxylic acid?
6-chloronaphthalene-1-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-1-carboxylic acid is sourced from PubChem (CID 13288328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).