(3,5-difluoro-4-pyridinyl)methyl methanesulfinate

C7H7F2NO2S — CID 130348869

IUPAC(3,5-difluoro-4-pyridinyl)methyl methanesulfinate
SMILESCS(=O)OCc1c(F)cncc1F
InChIInChI=1S/C7H7F2NO2S/c1-13(11)12-4-5-6(8)2-10-3-7(5)9/h2-3H,4H2,1H3
InChIKeyWCZOBIAJOPWUMH-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.17
Rot. Bonds3

About (3,5-difluoro-4-pyridinyl)methyl methanesulfinate

(3,5-difluoro-4-pyridinyl)methyl methanesulfinate (PubChem CID 130348869) has the molecular formula C7H7F2NO2S and a molecular weight of 207.20 g/mol. Its IUPAC name is (3,5-difluoro-4-pyridinyl)methyl methanesulfinate.

Molecular Properties

Compound Name(3,5-difluoro-4-pyridinyl)methyl methanesulfinate
PubChem CID130348869
Molecular FormulaC7H7F2NO2S
Molecular Weight207.20 g/mol
Exact Mass207.02
IUPAC Name(3,5-difluoro-4-pyridinyl)methyl methanesulfinate
SMILESCS(=O)OCc1c(F)cncc1F
InChIInChI=1S/C7H7F2NO2S/c1-13(11)12-4-5-6(8)2-10-3-7(5)9/h2-3H,4H2,1H3
InChIKeyWCZOBIAJOPWUMH-UHFFFAOYSA-N
XLogP1.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-fluoro-5-iodo-4-pyridinyl)acetate
CID 130837858
N-[(3,5-difluoro-4-pyridinyl)methyl]propan-1-amine
CID 165463336
3-(3,5-difluoro-4-pyridinyl)propan-1-ol
CID 164650630
4-(bromomethyl)-3-fluoro-5-iodopyridine
CID 130881845
(3-fluoro-5-iodo-4-pyridinyl)methanol
CID 130781632
2-[3-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 131143629
ethyl 3-bromo-5-fluoropyridine-4-carboxylate
CID 46311470
2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol
CID 123483797
4-(bromomethyl)-3-fluoro-5-(trifluoromethoxy)pyridine
CID 130092126
methyl 2-(4,5-difluoro-3-pyridinyl)acetate
CID 130779119
3-ethyl-5-fluoro-4-propan-2-ylpyridine
CID 146392473
4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine
CID 130096329

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-pyridinyl)methyl methanesulfinate?
The IUPAC name of (3,5-difluoro-4-pyridinyl)methyl methanesulfinate (CID 130348869) is (3,5-difluoro-4-pyridinyl)methyl methanesulfinate.
What is the SMILES notation for (3,5-difluoro-4-pyridinyl)methyl methanesulfinate?
The canonical SMILES for (3,5-difluoro-4-pyridinyl)methyl methanesulfinate is CS(=O)OCc1c(F)cncc1F.
What is the InChIKey of (3,5-difluoro-4-pyridinyl)methyl methanesulfinate?
The InChIKey is WCZOBIAJOPWUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2S/c1-13(11)12-4-5-6(8)2-10-3-7(5)9/h2-3H,4H2,1H3.
What are the key properties of (3,5-difluoro-4-pyridinyl)methyl methanesulfinate?
(3,5-difluoro-4-pyridinyl)methyl methanesulfinate has a molecular weight of 207.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-pyridinyl)methyl methanesulfinate is sourced from PubChem (CID 130348869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).