sodium 2-[hydroxy(sulfinatooxy)methyl]pyridine

C6H7NNaO4S — CID 126957554

IUPAC—
SMILESO=S(O)OC(O)c1ccccn1.[Na]
InChIInChI=1S/C6H7NO4S.Na/c8-6(11-12(9)10)5-3-1-2-4-7-5;/h1-4,6,8H,(H,9,10);
InChIKeyYQRRAFJUOIEEGO-UHFFFAOYSA-N
MW212.18 g/mol
LogP-0.16
Rot. Bonds3

About sodium 2-[hydroxy(sulfinatooxy)methyl]pyridine

sodium 2-[hydroxy(sulfinatooxy)methyl]pyridine (PubChem CID 126957554) has the molecular formula C6H7NNaO4S and a molecular weight of 212.18 g/mol.

Molecular Properties

Compound Namesodium 2-[hydroxy(sulfinatooxy)methyl]pyridine
PubChem CID126957554
Molecular FormulaC6H7NNaO4S
Molecular Weight212.18 g/mol
Exact Mass212.00
IUPAC Name—
SMILESO=S(O)OC(O)c1ccccn1.[Na]
InChIInChI=1S/C6H7NO4S.Na/c8-6(11-12(9)10)5-3-1-2-4-7-5;/h1-4,6,8H,(H,9,10);
InChIKeyYQRRAFJUOIEEGO-UHFFFAOYSA-N
XLogP-0.16
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine
CID 176830597
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
2,2,2-trichloro-1-pyridin-2-ylethanol
CID 3066911
2-chloro-1-pyridin-2-ylethanol
CID 22145518
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol
CID 69208439
2-hydroxy-N,N-diphenyl-2-pyridin-2-ylacetamide
CID 23727576
(2S)-2-methoxy-1-pyridin-2-ylpropan-1-ol
CID 131085993
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575

Frequently Asked Questions

What is the IUPAC name of sodium 2-[hydroxy(sulfinatooxy)methyl]pyridine?
The IUPAC name of sodium 2-[hydroxy(sulfinatooxy)methyl]pyridine (CID 126957554) is not available.
What is the SMILES notation for sodium 2-[hydroxy(sulfinatooxy)methyl]pyridine?
The canonical SMILES for sodium 2-[hydroxy(sulfinatooxy)methyl]pyridine is O=S(O)OC(O)c1ccccn1.[Na].
What is the InChIKey of sodium 2-[hydroxy(sulfinatooxy)methyl]pyridine?
The InChIKey is YQRRAFJUOIEEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S.Na/c8-6(11-12(9)10)5-3-1-2-4-7-5;/h1-4,6,8H,(H,9,10);.
What are the key properties of sodium 2-[hydroxy(sulfinatooxy)methyl]pyridine?
sodium 2-[hydroxy(sulfinatooxy)methyl]pyridine has a molecular weight of 212.18 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[hydroxy(sulfinatooxy)methyl]pyridine is sourced from PubChem (CID 126957554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).