7H-purine-2-carboxylic acid;hydrochloride

C6H5ClN4O2 — CID 162322232

IUPAC7H-purine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ncc2[nH]cnc2n1
InChIInChI=1S/C6H4N4O2.ClH/c11-6(12)5-7-1-3-4(10-5)9-2-8-3;/h1-2H,(H,11,12)(H,7,8,9,10);1H
InChIKeyVDELRSWPTQWXJE-UHFFFAOYSA-N
MW200.59 g/mol
LogP0.47
Rot. Bonds1

About 7H-purine-2-carboxylic acid;hydrochloride

7H-purine-2-carboxylic acid;hydrochloride (PubChem CID 162322232) has the molecular formula C6H5ClN4O2 and a molecular weight of 200.59 g/mol. Its IUPAC name is 7H-purine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7H-purine-2-carboxylic acid;hydrochloride
PubChem CID162322232
Molecular FormulaC6H5ClN4O2
Molecular Weight200.59 g/mol
Exact Mass200.01
IUPAC Name7H-purine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ncc2[nH]cnc2n1
InChIInChI=1S/C6H4N4O2.ClH/c11-6(12)5-7-1-3-4(10-5)9-2-8-3;/h1-2H,(H,11,12)(H,7,8,9,10);1H
InChIKeyVDELRSWPTQWXJE-UHFFFAOYSA-N
XLogP0.47
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.59
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7H-purin-2-yl)prop-2-enoic acid
CID 175072639
N-phenyl-7H-purine-2-carboxamide
CID 151760861
(2S)-2-amino-4-methylsulfanyl-1-(7H-purin-2-yl)butan-1-one
CID 141038141
phenol;7H-purine-2-carbaldehyde
CID 174600376
dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine
CID 67035770
9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate
CID 140977622
ethane;8-methylsulfanyl-7H-purine-2-carboxylic acid
CID 145294968
2-chloro-7H-purine;hydrobromide
CID 172776309
7H-purine-2-carbonitrile;hydrochloride
CID 162321507
7H-purine-2-sulfonamide
CID 3276405
2-propyl-7H-purine;hydrochloride
CID 18353371
methyl 2-(7H-purin-2-ylsulfanyl)acetate
CID 67767931

Frequently Asked Questions

What is the IUPAC name of 7H-purine-2-carboxylic acid;hydrochloride?
The IUPAC name of 7H-purine-2-carboxylic acid;hydrochloride (CID 162322232) is 7H-purine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 7H-purine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 7H-purine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1ncc2[nH]cnc2n1.
What is the InChIKey of 7H-purine-2-carboxylic acid;hydrochloride?
The InChIKey is VDELRSWPTQWXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2.ClH/c11-6(12)5-7-1-3-4(10-5)9-2-8-3;/h1-2H,(H,11,12)(H,7,8,9,10);1H.
What are the key properties of 7H-purine-2-carboxylic acid;hydrochloride?
7H-purine-2-carboxylic acid;hydrochloride has a molecular weight of 200.59 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 162322232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).