2-aminonaphthalene-1,3-diol

C10H9NO2 — CID 118669960

IUPAC2-aminonaphthalene-1,3-diol
SMILESNc1c(O)cc2ccccc2c1O
InChIInChI=1S/C10H9NO2/c11-9-8(12)5-6-3-1-2-4-7(6)10(9)13/h1-5,12-13H,11H2
InChIKeySRWBJUGQJHAWHL-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.83
Rot. Bonds

About 2-aminonaphthalene-1,3-diol

2-aminonaphthalene-1,3-diol (PubChem CID 118669960) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-aminonaphthalene-1,3-diol.

Molecular Properties

Compound Name2-aminonaphthalene-1,3-diol
PubChem CID118669960
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-aminonaphthalene-1,3-diol
SMILESNc1c(O)cc2ccccc2c1O
InChIInChI=1S/C10H9NO2/c11-9-8(12)5-6-3-1-2-4-7(6)10(9)13/h1-5,12-13H,11H2
InChIKeySRWBJUGQJHAWHL-UHFFFAOYSA-N
XLogP1.83
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-aminobenzo[a]anthracen-5-ol
CID 131861794
anthracene-1,2,10-triol
CID 11342
phenanthrene-2,3-diol
CID 23048019
1,4-diaminonaphthalene-2,3-diol
CID 82254150
2-chloroanthracene-1,3,9-triol
CID 90968006
2-aminonaphthalen-1-ol;ethane
CID 143085377
3-amino-2-anilinonaphthalen-1-ol
CID 154387368
naphthalene-2,3-diol;titanium
CID 87616563
sodium naphthalene-2,3-diol
CID 23069442
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
3-aminoanthracen-2-ol
CID 22413182
2-fluoro-3-methylnaphthalen-1-ol
CID 150732713

Frequently Asked Questions

What is the IUPAC name of 2-aminonaphthalene-1,3-diol?
The IUPAC name of 2-aminonaphthalene-1,3-diol (CID 118669960) is 2-aminonaphthalene-1,3-diol.
What is the SMILES notation for 2-aminonaphthalene-1,3-diol?
The canonical SMILES for 2-aminonaphthalene-1,3-diol is Nc1c(O)cc2ccccc2c1O.
What is the InChIKey of 2-aminonaphthalene-1,3-diol?
The InChIKey is SRWBJUGQJHAWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-9-8(12)5-6-3-1-2-4-7(6)10(9)13/h1-5,12-13H,11H2.
What are the key properties of 2-aminonaphthalene-1,3-diol?
2-aminonaphthalene-1,3-diol has a molecular weight of 175.19 g/mol, XLogP of 1.83, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminonaphthalene-1,3-diol is sourced from PubChem (CID 118669960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).