pyridin-3-ylastatine

C5H4AtN — CID 140653645

IUPACpyridin-3-ylastatine
SMILES[At]c1cccnc1
InChIInChI=1S/C5H4AtN/c6-5-2-1-3-7-4-5/h1-4H
InChIKeyLRQFRMWJHHOTJY-UHFFFAOYSA-N
MW288.09 g/mol
LogP0.26
Rot. Bonds

About pyridin-3-ylastatine

pyridin-3-ylastatine (PubChem CID 140653645) has the molecular formula C5H4AtN and a molecular weight of 288.09 g/mol. Its IUPAC name is pyridin-3-ylastatine.

Molecular Properties

Compound Namepyridin-3-ylastatine
PubChem CID140653645
Molecular FormulaC5H4AtN
Molecular Weight288.09 g/mol
Exact Mass288.02
IUPAC Namepyridin-3-ylastatine
SMILES[At]c1cccnc1
InChIInChI=1S/C5H4AtN/c6-5-2-1-3-7-4-5/h1-4H
InChIKeyLRQFRMWJHHOTJY-UHFFFAOYSA-N
XLogP0.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromopyridine
CID 143579676
pyridin-3-ylmercury
CID 163821117
3-bromopyridine;hydrobromide
CID 67321840
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
cyclopenta[c]azepine
CID 638010
pyridin-3-olate
CID 14387722
3-(18F)fluoropyridine
CID 24871782
pyridin-3-ol;titanium(3+);trichloride
CID 19362153
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
iron;pyridin-3-amine
CID 174751178
3-azulen-6-ylpyridine
CID 86232079
3-(pyridin-3-ylmethyl)pyridine
CID 14762640

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylastatine?
The IUPAC name of pyridin-3-ylastatine (CID 140653645) is pyridin-3-ylastatine.
What is the SMILES notation for pyridin-3-ylastatine?
The canonical SMILES for pyridin-3-ylastatine is [At]c1cccnc1.
What is the InChIKey of pyridin-3-ylastatine?
The InChIKey is LRQFRMWJHHOTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4AtN/c6-5-2-1-3-7-4-5/h1-4H.
What are the key properties of pyridin-3-ylastatine?
pyridin-3-ylastatine has a molecular weight of 288.09 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylastatine is sourced from PubChem (CID 140653645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).