7H-purine-8-carboxylic acid

C6H4N4O2 — CID 23422044

IUPAC7H-purine-8-carboxylic acid
SMILESO=C(O)c1nc2ncncc2[nH]1
InChIInChI=1S/C6H4N4O2/c11-6(12)5-9-3-1-7-2-8-4(3)10-5/h1-2H,(H,11,12)(H,7,8,9,10)
InChIKeyQAJJXAGDCARCHD-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.05
Rot. Bonds1

About 7H-purine-8-carboxylic acid

7H-purine-8-carboxylic acid (PubChem CID 23422044) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 7H-purine-8-carboxylic acid.

Molecular Properties

Compound Name7H-purine-8-carboxylic acid
PubChem CID23422044
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name7H-purine-8-carboxylic acid
SMILESO=C(O)c1nc2ncncc2[nH]1
InChIInChI=1S/C6H4N4O2/c11-6(12)5-9-3-1-7-2-8-4(3)10-5/h1-2H,(H,11,12)(H,7,8,9,10)
InChIKeyQAJJXAGDCARCHD-UHFFFAOYSA-N
XLogP0.05
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
2-Aminopurine nitrate
CID 160416
2-Methyl-9H-purine
CID 70279
2-(9H-purin-9-yl)acetic acid
CID 236400
7h-Purine-2,8-diamine
CID 243948
(9H-Purin-6-ylamino)-acetic acid
CID 1241285
N-(2-amino-9H-purin-6-yl)glycine
CID 71826867
N-(2-acetamidopurin-6-yl)glycine
CID 127050127
(6-Amino-9H-purin-9-yl)acetic acid
CID 11651306
8-Methyl-9H-purine
CID 229270
2-[methyl(7H-purin-6-yl)amino]acetic acid
CID 24704702

Frequently Asked Questions

What is the IUPAC name of 7H-purine-8-carboxylic acid?
The IUPAC name of 7H-purine-8-carboxylic acid (CID 23422044) is 7H-purine-8-carboxylic acid.
What is the SMILES notation for 7H-purine-8-carboxylic acid?
The canonical SMILES for 7H-purine-8-carboxylic acid is O=C(O)c1nc2ncncc2[nH]1.
What is the InChIKey of 7H-purine-8-carboxylic acid?
The InChIKey is QAJJXAGDCARCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c11-6(12)5-9-3-1-7-2-8-4(3)10-5/h1-2H,(H,11,12)(H,7,8,9,10).
What are the key properties of 7H-purine-8-carboxylic acid?
7H-purine-8-carboxylic acid has a molecular weight of 164.12 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine-8-carboxylic acid is sourced from PubChem (CID 23422044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).