8-aminonaphthalene-2-carboxylic acid

C11H9NO2 — CID 13440887

IUPAC8-aminonaphthalene-2-carboxylic acid
SMILESNc1cccc2ccc(C(=O)O)cc12
InChIInChI=1S/C11H9NO2/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H,13,14)
InChIKeyPBWULNOSRHQTHZ-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.12
Rot. Bonds1

About 8-aminonaphthalene-2-carboxylic acid

8-aminonaphthalene-2-carboxylic acid (PubChem CID 13440887) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 8-aminonaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-aminonaphthalene-2-carboxylic acid
PubChem CID13440887
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name8-aminonaphthalene-2-carboxylic acid
SMILESNc1cccc2ccc(C(=O)O)cc12
InChIInChI=1S/C11H9NO2/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H,13,14)
InChIKeyPBWULNOSRHQTHZ-UHFFFAOYSA-N
XLogP2.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-ethylnaphthalene-2-carboxylic acid
CID 151555828
8-(2-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553658
8-methylsulfinylnaphthalene-2-carboxylic acid
CID 126707128
naphthalene-2-carboxylic acid
CID 175967775
5,6-diaminonaphthalene-2-carboxylic acid
CID 23293419
8-(2,3-dichlorophenyl)naphthalene-2-carboxylic acid
CID 58553759
hexacene-2-carboxylic acid
CID 87430666
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553637
8-aminonaphthalen-2-ol;ethane
CID 91086643
1-(5-aminonaphthalen-2-yl)ethanone
CID 115016880

Frequently Asked Questions

What is the IUPAC name of 8-aminonaphthalene-2-carboxylic acid?
The IUPAC name of 8-aminonaphthalene-2-carboxylic acid (CID 13440887) is 8-aminonaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-aminonaphthalene-2-carboxylic acid?
The canonical SMILES for 8-aminonaphthalene-2-carboxylic acid is Nc1cccc2ccc(C(=O)O)cc12.
What is the InChIKey of 8-aminonaphthalene-2-carboxylic acid?
The InChIKey is PBWULNOSRHQTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H,13,14).
What are the key properties of 8-aminonaphthalene-2-carboxylic acid?
8-aminonaphthalene-2-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminonaphthalene-2-carboxylic acid is sourced from PubChem (CID 13440887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).