6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid

C13H9F2NO3S — CID 106905200

IUPAC6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CS(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C13H9F2NO3S/c14-8-4-5-10(15)12(6-8)20(19)7-9-2-1-3-11(16-9)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyQHJNHQFGCGBFOK-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.37
Rot. Bonds4

About 6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid

6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid (PubChem CID 106905200) has the molecular formula C13H9F2NO3S and a molecular weight of 297.28 g/mol. Its IUPAC name is 6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid
PubChem CID106905200
Molecular FormulaC13H9F2NO3S
Molecular Weight297.28 g/mol
Exact Mass297.03
IUPAC Name6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CS(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C13H9F2NO3S/c14-8-4-5-10(15)12(6-8)20(19)7-9-2-1-3-11(16-9)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyQHJNHQFGCGBFOK-UHFFFAOYSA-N
XLogP2.37
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-chloro-4-fluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid
CID 106905214
6-[(2-methoxyphenyl)sulfinylmethyl]pyridine-2-carboxylic acid
CID 106905204
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414
5-[(2,5-difluorophenyl)sulfinylmethyl]-2-methylfuran-3-carboxylic acid
CID 61304372
6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903722
6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904432
1-(2,5-difluorophenyl)sulfinyl-3-methylbutan-2-one
CID 79392957
6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904521
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359
6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904017
3-[(2,5-difluorophenyl)sulfinylmethyl]-1-(4-fluorophenyl)pyrazole
CID 119039085

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid (CID 106905200) is 6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CS(=O)c2cc(F)ccc2F)n1.
What is the InChIKey of 6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid?
The InChIKey is QHJNHQFGCGBFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3S/c14-8-4-5-10(15)12(6-8)20(19)7-9-2-1-3-11(16-9)13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid?
6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106905200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).