2-(6-chloro-2-fluoropurin-9-yl)acetic acid

C7H4ClFN4O2 — CID 86049987

IUPAC2-(6-chloro-2-fluoropurin-9-yl)acetic acid
SMILESO=C(O)Cn1cnc2c(Cl)nc(F)nc21
InChIInChI=1S/C7H4ClFN4O2/c8-5-4-6(12-7(9)11-5)13(2-10-4)1-3(14)15/h2H,1H2,(H,14,15)
InChIKeyGIWYLLNDHFJQPI-UHFFFAOYSA-N
MW230.59 g/mol
LogP0.70
Rot. Bonds2

About 2-(6-chloro-2-fluoropurin-9-yl)acetic acid

2-(6-chloro-2-fluoropurin-9-yl)acetic acid (PubChem CID 86049987) has the molecular formula C7H4ClFN4O2 and a molecular weight of 230.59 g/mol. Its IUPAC name is 2-(6-chloro-2-fluoropurin-9-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-fluoropurin-9-yl)acetic acid
PubChem CID86049987
Molecular FormulaC7H4ClFN4O2
Molecular Weight230.59 g/mol
Exact Mass230.00
IUPAC Name2-(6-chloro-2-fluoropurin-9-yl)acetic acid
SMILESO=C(O)Cn1cnc2c(Cl)nc(F)nc21
InChIInChI=1S/C7H4ClFN4O2/c8-5-4-6(12-7(9)11-5)13(2-10-4)1-3(14)15/h2H,1H2,(H,14,15)
InChIKeyGIWYLLNDHFJQPI-UHFFFAOYSA-N
XLogP0.70
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.59
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-anilino-6-chloropurin-9-yl)acetic acid
CID 19036012
1-(4-chlorophenyl)-2-(2,6-dichloropurin-9-yl)ethanone
CID 170775423
2-[2-amino-1-(diphenylcarbamoyl)-6-oxopurin-9-yl]acetic acid
CID 70118113
6-chloro-9-pentylpurin-2-amine
CID 139201177
2-(2,6-dichloropurin-9-yl)-N-(4-methylsulfinylphenyl)acetamide
CID 177001298
[(2R,3R,4R)-4-acetyloxy-5-(6-chloro-2-fluoropurin-9-yl)-2-methyloxolan-3-yl] acetate
CID 134229785
4-[4-[(6-chloro-2-fluoropurin-9-yl)methyl]triazol-1-yl]quinoline
CID 155520919
2-(6-amino-2-phenylmethoxycarbonylpurin-9-yl)acetic acid
CID 23511189
2-[2,6-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]purin-9-yl]acetic acid
CID 178038466
(1S,2S,4R)-4-(6-chloro-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)cyclopentan-1-ol
CID 138678544
6-chloro-9-[(5-chloro-2,1,3-benzothiadiazol-6-yl)methyl]purin-2-amine
CID 87520351
4-[3-(2-amino-6-chloropurin-9-yl)propanoylamino]benzoic acid
CID 22987935

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-fluoropurin-9-yl)acetic acid?
The IUPAC name of 2-(6-chloro-2-fluoropurin-9-yl)acetic acid (CID 86049987) is 2-(6-chloro-2-fluoropurin-9-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-2-fluoropurin-9-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-2-fluoropurin-9-yl)acetic acid is O=C(O)Cn1cnc2c(Cl)nc(F)nc21.
What is the InChIKey of 2-(6-chloro-2-fluoropurin-9-yl)acetic acid?
The InChIKey is GIWYLLNDHFJQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN4O2/c8-5-4-6(12-7(9)11-5)13(2-10-4)1-3(14)15/h2H,1H2,(H,14,15).
What are the key properties of 2-(6-chloro-2-fluoropurin-9-yl)acetic acid?
2-(6-chloro-2-fluoropurin-9-yl)acetic acid has a molecular weight of 230.59 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-fluoropurin-9-yl)acetic acid is sourced from PubChem (CID 86049987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).