sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate

C6H6FN2NaO2 — CID 55255456

IUPACsodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate
SMILESNCc1cc(F)c(=O)[nH]c1[O-].[Na+]
InChIInChI=1S/C6H7FN2O2.Na/c7-4-1-3(2-8)5(10)9-6(4)11;/h1H,2,8H2,(H2,9,10,11);/q;+1/p-1
InChIKeyNBADYJKNDKVWGQ-UHFFFAOYSA-M
MW180.11 g/mol
LogP-3.95
Rot. Bonds1

About sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate

sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate (PubChem CID 55255456) has the molecular formula C6H6FN2NaO2 and a molecular weight of 180.11 g/mol. Its IUPAC name is sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate.

Molecular Properties

Compound Namesodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate
PubChem CID55255456
Molecular FormulaC6H6FN2NaO2
Molecular Weight180.11 g/mol
Exact Mass180.03
IUPAC Namesodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate
SMILESNCc1cc(F)c(=O)[nH]c1[O-].[Na+]
InChIInChI=1S/C6H7FN2O2.Na/c7-4-1-3(2-8)5(10)9-6(4)11;/h1H,2,8H2,(H2,9,10,11);/q;+1/p-1
InChIKeyNBADYJKNDKVWGQ-UHFFFAOYSA-M
XLogP-3.95
TPSA81.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.11
LogP ≤ 5-3.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate?
The IUPAC name of sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate (CID 55255456) is sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate.
What is the SMILES notation for sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate?
The canonical SMILES for sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate is NCc1cc(F)c(=O)[nH]c1[O-].[Na+].
What is the InChIKey of sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate?
The InChIKey is NBADYJKNDKVWGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7FN2O2.Na/c7-4-1-3(2-8)5(10)9-6(4)11;/h1H,2,8H2,(H2,9,10,11);/q;+1/p-1.
What are the key properties of sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate?
sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate has a molecular weight of 180.11 g/mol, XLogP of -3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(aminomethyl)-5-fluoro-6-oxo-1H-pyridin-2-olate is sourced from PubChem (CID 55255456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).