pyridin-3-olate

C5H4NO- — CID 14387722

IUPACpyridin-3-olate
SMILES[O-]c1cccnc1
InChIInChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H/p-1
InChIKeyGRFNBEZIAWKNCO-UHFFFAOYSA-M
MW94.09 g/mol
LogP0.16
Rot. Bonds

About pyridin-3-olate

pyridin-3-olate (PubChem CID 14387722) has the molecular formula C5H4NO- and a molecular weight of 94.09 g/mol. Its IUPAC name is pyridin-3-olate.

Molecular Properties

Compound Namepyridin-3-olate
PubChem CID14387722
Molecular FormulaC5H4NO-
Molecular Weight94.09 g/mol
Exact Mass94.03
IUPAC Namepyridin-3-olate
SMILES[O-]c1cccnc1
InChIInChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H/p-1
InChIKeyGRFNBEZIAWKNCO-UHFFFAOYSA-M
XLogP0.16
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.09
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

neodymium(3+);pyridine-3-carboxylate
CID 23619365
3-ethylpyridine
CID 10823
cyclopenta[c]azepine
CID 638010
3-bromopyridine
CID 143579676
3-(18F)fluoropyridine
CID 24871782
pyridin-3-ylmercury
CID 163821117
pyridin-3-ylastatine
CID 140653645
bis(3-methylpyridine);tetrachloroplatinum
CID 3415062
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
iron;pyridin-3-amine
CID 174751178
3-azulen-6-ylpyridine
CID 86232079
3-chloropyridine;hydroiodide
CID 173140425

Frequently Asked Questions

What is the IUPAC name of pyridin-3-olate?
The IUPAC name of pyridin-3-olate (CID 14387722) is pyridin-3-olate.
What is the SMILES notation for pyridin-3-olate?
The canonical SMILES for pyridin-3-olate is [O-]c1cccnc1.
What is the InChIKey of pyridin-3-olate?
The InChIKey is GRFNBEZIAWKNCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H/p-1.
What are the key properties of pyridin-3-olate?
pyridin-3-olate has a molecular weight of 94.09 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-olate is sourced from PubChem (CID 14387722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).