(6-chloro-2-pyridinyl)methanesulfinate

C6H5ClNO2S- — CID 174643876

IUPAC(6-chloro-2-pyridinyl)methanesulfinate
SMILESO=S([O-])Cc1cccc(Cl)n1
InChIInChI=1S/C6H6ClNO2S/c7-6-3-1-2-5(8-6)4-11(9)10/h1-3H,4H2,(H,9,10)/p-1
InChIKeyLIWWIOVGVXYEGW-UHFFFAOYSA-M
MW190.63 g/mol
LogP1.11
Rot. Bonds2

About (6-chloro-2-pyridinyl)methanesulfinate

(6-chloro-2-pyridinyl)methanesulfinate (PubChem CID 174643876) has the molecular formula C6H5ClNO2S- and a molecular weight of 190.63 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)methanesulfinate.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)methanesulfinate
PubChem CID174643876
Molecular FormulaC6H5ClNO2S-
Molecular Weight190.63 g/mol
Exact Mass189.97
IUPAC Name(6-chloro-2-pyridinyl)methanesulfinate
SMILESO=S([O-])Cc1cccc(Cl)n1
InChIInChI=1S/C6H6ClNO2S/c7-6-3-1-2-5(8-6)4-11(9)10/h1-3H,4H2,(H,9,10)/p-1
InChIKeyLIWWIOVGVXYEGW-UHFFFAOYSA-M
XLogP1.11
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(chloromethyl)pyridine
CID 15574440
(6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium
CID 175262796
2-chloro-6-(methoxymethyl)pyridine
CID 78967102
2-chloro-6-(3-fluoropropyl)pyridine
CID 173285144
2-chloro-6-pentylpyridine
CID 14570984
N-[(6-chloro-2-pyridinyl)methyl]ethanamine
CID 119090911
bis(2,6-dichloropyridine);palladium(2+);chloride
CID 71744970
3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
CID 79240657
2-chloro-6-(prop-2-enoxymethyl)pyridine
CID 79243587
1-[(6-chloro-2-pyridinyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79240099
2-chloro-6-[(4-methylsulfonylphenyl)sulfanylmethyl]pyridine
CID 79040430
2-chloro-6-(piperidin-1-ylmethyl)pyridine
CID 13388686

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridinyl)methanesulfinate?
The IUPAC name of (6-chloro-2-pyridinyl)methanesulfinate (CID 174643876) is (6-chloro-2-pyridinyl)methanesulfinate.
What is the SMILES notation for (6-chloro-2-pyridinyl)methanesulfinate?
The canonical SMILES for (6-chloro-2-pyridinyl)methanesulfinate is O=S([O-])Cc1cccc(Cl)n1.
What is the InChIKey of (6-chloro-2-pyridinyl)methanesulfinate?
The InChIKey is LIWWIOVGVXYEGW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6ClNO2S/c7-6-3-1-2-5(8-6)4-11(9)10/h1-3H,4H2,(H,9,10)/p-1.
What are the key properties of (6-chloro-2-pyridinyl)methanesulfinate?
(6-chloro-2-pyridinyl)methanesulfinate has a molecular weight of 190.63 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)methanesulfinate is sourced from PubChem (CID 174643876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).