naphthalene-2-carboxylic acid

C11H8O2 — CID 175967775

IUPACnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc[13c]2cccc[13c]2c1
InChIInChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)/i8+1,9+1
InChIKeyUOBYKYZJUGYBDK-IOOOXAEESA-N
MW174.17 g/mol
LogP2.54
Rot. Bonds1

About naphthalene-2-carboxylic acid

naphthalene-2-carboxylic acid (PubChem CID 175967775) has the molecular formula C11H8O2 and a molecular weight of 174.17 g/mol. Its IUPAC name is naphthalene-2-carboxylic acid.

Molecular Properties

Compound Namenaphthalene-2-carboxylic acid
PubChem CID175967775
Molecular FormulaC11H8O2
Molecular Weight174.17 g/mol
Exact Mass174.06
IUPAC Namenaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc[13c]2cccc[13c]2c1
InChIInChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)/i8+1,9+1
InChIKeyUOBYKYZJUGYBDK-IOOOXAEESA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
hexacene-2-carboxylic acid
CID 87430666
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145

Frequently Asked Questions

What is the IUPAC name of naphthalene-2-carboxylic acid?
The IUPAC name of naphthalene-2-carboxylic acid (CID 175967775) is naphthalene-2-carboxylic acid.
What is the SMILES notation for naphthalene-2-carboxylic acid?
The canonical SMILES for naphthalene-2-carboxylic acid is O=C(O)c1cc[13c]2cccc[13c]2c1.
What is the InChIKey of naphthalene-2-carboxylic acid?
The InChIKey is UOBYKYZJUGYBDK-IOOOXAEESA-N. The full InChI is InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)/i8+1,9+1.
What are the key properties of naphthalene-2-carboxylic acid?
naphthalene-2-carboxylic acid has a molecular weight of 174.17 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-carboxylic acid is sourced from PubChem (CID 175967775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).