(3-carboxy-2-pyridinyl)astatine

C6H4AtNO2 — CID 174507208

IUPAC(3-carboxy-2-pyridinyl)astatine
SMILESO=C(O)c1cccnc1[At]
InChIInChI=1S/C6H4AtNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
InChIKeyTUMSKQQTJOZYJD-UHFFFAOYSA-N
MW332.10 g/mol
LogP-0.05
Rot. Bonds1

About (3-carboxy-2-pyridinyl)astatine

(3-carboxy-2-pyridinyl)astatine (PubChem CID 174507208) has the molecular formula C6H4AtNO2 and a molecular weight of 332.10 g/mol. Its IUPAC name is (3-carboxy-2-pyridinyl)astatine.

Molecular Properties

Compound Name(3-carboxy-2-pyridinyl)astatine
PubChem CID174507208
Molecular FormulaC6H4AtNO2
Molecular Weight332.10 g/mol
Exact Mass332.01
IUPAC Name(3-carboxy-2-pyridinyl)astatine
SMILESO=C(O)c1cccnc1[At]
InChIInChI=1S/C6H4AtNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)
InChIKeyTUMSKQQTJOZYJD-UHFFFAOYSA-N
XLogP-0.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyridine-2,3-dicarboxylic acid
CID 1066
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
CID 119078369
CID 119078369
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
palladium;quinoline-8-carboxylic acid
CID 174945118
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
2-(dihydroxymethyl)pyridine-3-carboxylic acid
CID 91298462
2-tert-butylpyridine-3-carboxylic acid
CID 20815660
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
magnesium;phthalic acid;dichloride
CID 22501626
2-formamidopyridine-3-carboxylic acid
CID 54137252

Frequently Asked Questions

What is the IUPAC name of (3-carboxy-2-pyridinyl)astatine?
The IUPAC name of (3-carboxy-2-pyridinyl)astatine (CID 174507208) is (3-carboxy-2-pyridinyl)astatine.
What is the SMILES notation for (3-carboxy-2-pyridinyl)astatine?
The canonical SMILES for (3-carboxy-2-pyridinyl)astatine is O=C(O)c1cccnc1[At].
What is the InChIKey of (3-carboxy-2-pyridinyl)astatine?
The InChIKey is TUMSKQQTJOZYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4AtNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10).
What are the key properties of (3-carboxy-2-pyridinyl)astatine?
(3-carboxy-2-pyridinyl)astatine has a molecular weight of 332.10 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carboxy-2-pyridinyl)astatine is sourced from PubChem (CID 174507208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).