2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium

C7H6NO2Rf- — CID 59924057

IUPAC2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium
SMILESNc1c[c-]ccc1C(=O)O.[Rf]
InChIInChI=1S/C7H6NO2.Rf/c8-6-4-2-1-3-5(6)7(9)10;/h1,3-4H,8H2,(H,9,10);/q-1;
InChIKeyGODHPNJMLRIXFS-UHFFFAOYSA-N
MW403.13 g/mol
LogP0.77
Rot. Bonds1

About 2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium

2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium (PubChem CID 59924057) has the molecular formula C7H6NO2Rf- and a molecular weight of 403.13 g/mol. Its IUPAC name is 2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium.

Molecular Properties

Compound Name2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium
PubChem CID59924057
Molecular FormulaC7H6NO2Rf-
Molecular Weight403.13 g/mol
Exact Mass403.16
IUPAC Name2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium
SMILESNc1c[c-]ccc1C(=O)O.[Rf]
InChIInChI=1S/C7H6NO2.Rf/c8-6-4-2-1-3-5(6)7(9)10;/h1,3-4H,8H2,(H,9,10);/q-1;
InChIKeyGODHPNJMLRIXFS-UHFFFAOYSA-N
XLogP0.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.13
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-3-carboxymuconic acid
CID 21969475
4-Amino-4-fluorocyclohexa-1,5-diene-1-carboxylic acid
CID 67910517
(2E)-3-amino-2-(1-fluoroethenyl)penta-2,4-dienoic acid
CID 144836160
(2Z)-3-amino-2-ethenyl-4-fluoropenta-2,4-dienoic acid
CID 145701136
4-Amino-3,4-difluorocyclohexa-1,5-diene-1-carboxylic acid
CID 174933301
(2Z,3Z)-2-(1-aminoethylidene)-5-fluoro-4-methylhexa-3,5-dienoic acid
CID 142866304
6-Hydroxy-2-methylnicotinic acid
CID 12387739
(1Z,3E)-1-aminobuta-1,3-diene-1,2,4-tricarboxylic acid
CID 18699490
5-Aminocyclohexa-1,5-diene-1-carboxylic acid
CID 54350782
2-Aminocyclohexa-1,3-diene-1-carboxylic acid
CID 55285547
3-Amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium
CID 58165875
4-Aminobenzene-5-ide-1-carboxylic acid;yttrium
CID 58305613

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium?
The IUPAC name of 2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium (CID 59924057) is 2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium.
What is the SMILES notation for 2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium?
The canonical SMILES for 2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium is Nc1c[c-]ccc1C(=O)O.[Rf].
What is the InChIKey of 2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium?
The InChIKey is GODHPNJMLRIXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO2.Rf/c8-6-4-2-1-3-5(6)7(9)10;/h1,3-4H,8H2,(H,9,10);/q-1;.
What are the key properties of 2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium?
2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium has a molecular weight of 403.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzene-4-ide-1-carboxylic acid;rutherfordium is sourced from PubChem (CID 59924057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).