2-amino-4-formylnaphthalene-1-carboxylic acid

C12H9NO3 — CID 173257740

IUPAC2-amino-4-formylnaphthalene-1-carboxylic acid
SMILESNc1cc(C=O)c2ccccc2c1C(=O)O
InChIInChI=1S/C12H9NO3/c13-10-5-7(6-14)8-3-1-2-4-9(8)11(10)12(15)16/h1-6H,13H2,(H,15,16)
InChIKeyBUCVKSZWQZXTSH-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.93
Rot. Bonds2

About 2-amino-4-formylnaphthalene-1-carboxylic acid

2-amino-4-formylnaphthalene-1-carboxylic acid (PubChem CID 173257740) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-amino-4-formylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-formylnaphthalene-1-carboxylic acid
PubChem CID173257740
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name2-amino-4-formylnaphthalene-1-carboxylic acid
SMILESNc1cc(C=O)c2ccccc2c1C(=O)O
InChIInChI=1S/C12H9NO3/c13-10-5-7(6-14)8-3-1-2-4-9(8)11(10)12(15)16/h1-6H,13H2,(H,15,16)
InChIKeyBUCVKSZWQZXTSH-UHFFFAOYSA-N
XLogP1.93
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid
CID 101198518
2,4-dimethylnaphthalene-1-carboxylic acid
CID 100912182
2-aminoazulene-1-carboxylic acid
CID 139642161
2-aminoacridine-1-carboxylic acid
CID 122423819
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
CID 70582995
5-amino-2,3-diphenylterephthalic acid
CID 174316349
2-amino-5-benzoylbenzaldehyde
CID 58625138
4-amino-3-hydroxynaphthalene-1,2-dicarboxylic acid
CID 139899447
3-amino-2-methylnaphthalene-1-carboxylic acid
CID 154166226
1-amino-4-carbamoylnaphthalene-2,3-dicarboxylic acid
CID 139721854
(E)-3-(4-formylnaphthalen-1-yl)prop-2-enoic acid
CID 59092286
2-formyl-6-phenylbenzoic acid
CID 18003803

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-formylnaphthalene-1-carboxylic acid?
The IUPAC name of 2-amino-4-formylnaphthalene-1-carboxylic acid (CID 173257740) is 2-amino-4-formylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-amino-4-formylnaphthalene-1-carboxylic acid?
The canonical SMILES for 2-amino-4-formylnaphthalene-1-carboxylic acid is Nc1cc(C=O)c2ccccc2c1C(=O)O.
What is the InChIKey of 2-amino-4-formylnaphthalene-1-carboxylic acid?
The InChIKey is BUCVKSZWQZXTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c13-10-5-7(6-14)8-3-1-2-4-9(8)11(10)12(15)16/h1-6H,13H2,(H,15,16).
What are the key properties of 2-amino-4-formylnaphthalene-1-carboxylic acid?
2-amino-4-formylnaphthalene-1-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-formylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 173257740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).