(6-methyl-2-pyridinyl)methanesulfinic acid

C7H9NO2S — CID 174710175

IUPAC(6-methyl-2-pyridinyl)methanesulfinic acid
SMILESCc1cccc(CS(=O)O)n1
InChIInChI=1S/C7H9NO2S/c1-6-3-2-4-7(8-6)5-11(9)10/h2-4H,5H2,1H3,(H,9,10)
InChIKeyZFMRJFPAEHRGKR-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.11
Rot. Bonds2

About (6-methyl-2-pyridinyl)methanesulfinic acid

(6-methyl-2-pyridinyl)methanesulfinic acid (PubChem CID 174710175) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)methanesulfinic acid.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)methanesulfinic acid
PubChem CID174710175
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(6-methyl-2-pyridinyl)methanesulfinic acid
SMILESCc1cccc(CS(=O)O)n1
InChIInChI=1S/C7H9NO2S/c1-6-3-2-4-7(8-6)5-11(9)10/h2-4H,5H2,1H3,(H,9,10)
InChIKeyZFMRJFPAEHRGKR-UHFFFAOYSA-N
XLogP1.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-methyl-2-pyridinyl)methylsulfinyl]butanoic acid
CID 105355701
[4-(6-methyl-2-pyridinyl)phenyl]methanesulfinic acid
CID 174903712
2-[4-[(6-methyl-2-pyridinyl)methylsulfinyl]phenyl]acetic acid
CID 79261577
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
CID 131847838
CID 131847838
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
2-(2-fluoroethyl)-6-methylpyridine
CID 70660766
4-(6-methyl-2-pyridinyl)butan-1-ol
CID 20689309
3-methoxy-4-[(6-methyl-2-pyridinyl)methylsulfinyl]aniline
CID 81207770
3-[(6-methyl-2-pyridinyl)methylamino]propanamide
CID 62323562

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)methanesulfinic acid?
The IUPAC name of (6-methyl-2-pyridinyl)methanesulfinic acid (CID 174710175) is (6-methyl-2-pyridinyl)methanesulfinic acid.
What is the SMILES notation for (6-methyl-2-pyridinyl)methanesulfinic acid?
The canonical SMILES for (6-methyl-2-pyridinyl)methanesulfinic acid is Cc1cccc(CS(=O)O)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)methanesulfinic acid?
The InChIKey is ZFMRJFPAEHRGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-6-3-2-4-7(8-6)5-11(9)10/h2-4H,5H2,1H3,(H,9,10).
What are the key properties of (6-methyl-2-pyridinyl)methanesulfinic acid?
(6-methyl-2-pyridinyl)methanesulfinic acid has a molecular weight of 171.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)methanesulfinic acid is sourced from PubChem (CID 174710175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).