2-amino-5-methylpyridine-3-sulfinic acid

C6H8N2O2S — CID 139269833

IUPAC2-amino-5-methylpyridine-3-sulfinic acid
SMILESCc1cnc(N)c(S(=O)O)c1
InChIInChI=1S/C6H8N2O2S/c1-4-2-5(11(9)10)6(7)8-3-4/h2-3H,1H3,(H2,7,8)(H,9,10)
InChIKeyCVZLPDOKBNOFQY-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.55
Rot. Bonds1

About 2-amino-5-methylpyridine-3-sulfinic acid

2-amino-5-methylpyridine-3-sulfinic acid (PubChem CID 139269833) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-amino-5-methylpyridine-3-sulfinic acid.

Molecular Properties

Compound Name2-amino-5-methylpyridine-3-sulfinic acid
PubChem CID139269833
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-amino-5-methylpyridine-3-sulfinic acid
SMILESCc1cnc(N)c(S(=O)O)c1
InChIInChI=1S/C6H8N2O2S/c1-4-2-5(11(9)10)6(7)8-3-4/h2-3H,1H3,(H2,7,8)(H,9,10)
InChIKeyCVZLPDOKBNOFQY-UHFFFAOYSA-N
XLogP0.55
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

sodium 2-amino-5-methylpyridine-3-sulfinate
CID 139269832
3-[amino(methyl)amino]-5-methylpyridin-2-amine
CID 143982641
(2-amino-5-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103450009
ethane;5-methyl-3-methylsulfanylpyridin-2-amine
CID 171527271
1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303
1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol
CID 103452733
3-(fluoromethyl)-5-methylpyridin-2-amine
CID 135298839
(2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
CID 103083607
3-ethoxy-5-methylpyridin-2-amine
CID 86076858
(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone
CID 116583846
(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925462
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116574050

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methylpyridine-3-sulfinic acid?
The IUPAC name of 2-amino-5-methylpyridine-3-sulfinic acid (CID 139269833) is 2-amino-5-methylpyridine-3-sulfinic acid.
What is the SMILES notation for 2-amino-5-methylpyridine-3-sulfinic acid?
The canonical SMILES for 2-amino-5-methylpyridine-3-sulfinic acid is Cc1cnc(N)c(S(=O)O)c1.
What is the InChIKey of 2-amino-5-methylpyridine-3-sulfinic acid?
The InChIKey is CVZLPDOKBNOFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-4-2-5(11(9)10)6(7)8-3-4/h2-3H,1H3,(H2,7,8)(H,9,10).
What are the key properties of 2-amino-5-methylpyridine-3-sulfinic acid?
2-amino-5-methylpyridine-3-sulfinic acid has a molecular weight of 172.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylpyridine-3-sulfinic acid is sourced from PubChem (CID 139269833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).