(4-carboxynaphthalen-2-yl)azanium nitrate

C11H10N2O5 — CID 134100010

IUPAC(4-carboxynaphthalen-2-yl)azanium nitrate
SMILESO=[N+]([O-])[O-].[NH3+]c1cc(C(=O)O)c2ccccc2c1
InChIInChI=1S/C11H9NO2.NO3/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14;2-1(3)4/h1-6H,12H2,(H,13,14);/q;-1/p+1
InChIKeyGJLQXYKCSXDUNX-UHFFFAOYSA-O
MW250.21 g/mol
LogP1.17
Rot. Bonds1

About (4-carboxynaphthalen-2-yl)azanium nitrate

(4-carboxynaphthalen-2-yl)azanium nitrate (PubChem CID 134100010) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is (4-carboxynaphthalen-2-yl)azanium nitrate.

Molecular Properties

Compound Name(4-carboxynaphthalen-2-yl)azanium nitrate
PubChem CID134100010
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name(4-carboxynaphthalen-2-yl)azanium nitrate
SMILESO=[N+]([O-])[O-].[NH3+]c1cc(C(=O)O)c2ccccc2c1
InChIInChI=1S/C11H9NO2.NO3/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14;2-1(3)4/h1-6H,12H2,(H,13,14);/q;-1/p+1
InChIKeyGJLQXYKCSXDUNX-UHFFFAOYSA-O
XLogP1.17
TPSA131.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-nitronaphthalene-1-carboxylate;3-nitronaphthalene-1-carboxylic acid
CID 160751815
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681
3-pyridin-4-ylnaphthalene-1-carboxylic acid
CID 3348527
benzo[a]anthracene-9,10-dicarboxylic acid
CID 175115452
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
N-methyl-3-nitronaphthalene-1-carboxamide
CID 54231146
3-cyanatonaphthalene-1-carboxylic acid
CID 139949432

Frequently Asked Questions

What is the IUPAC name of (4-carboxynaphthalen-2-yl)azanium nitrate?
The IUPAC name of (4-carboxynaphthalen-2-yl)azanium nitrate (CID 134100010) is (4-carboxynaphthalen-2-yl)azanium nitrate.
What is the SMILES notation for (4-carboxynaphthalen-2-yl)azanium nitrate?
The canonical SMILES for (4-carboxynaphthalen-2-yl)azanium nitrate is O=[N+]([O-])[O-].[NH3+]c1cc(C(=O)O)c2ccccc2c1.
What is the InChIKey of (4-carboxynaphthalen-2-yl)azanium nitrate?
The InChIKey is GJLQXYKCSXDUNX-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H9NO2.NO3/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14;2-1(3)4/h1-6H,12H2,(H,13,14);/q;-1/p+1.
What are the key properties of (4-carboxynaphthalen-2-yl)azanium nitrate?
(4-carboxynaphthalen-2-yl)azanium nitrate has a molecular weight of 250.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carboxynaphthalen-2-yl)azanium nitrate is sourced from PubChem (CID 134100010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).