3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid

C12H9F2N3O3S — CID 171501655

IUPAC3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid
SMILESO=C(Nc1cccnc1S(=O)O)c1ccc(C(F)F)nc1
InChIInChI=1S/C12H9F2N3O3S/c13-10(14)8-4-3-7(6-16-8)11(18)17-9-2-1-5-15-12(9)21(19)20/h1-6,10H,(H,17,18)(H,19,20)
InChIKeyRYXWPWRKNIZYBG-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.25
Rot. Bonds4

About 3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid

3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid (PubChem CID 171501655) has the molecular formula C12H9F2N3O3S and a molecular weight of 313.29 g/mol. Its IUPAC name is 3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid.

Molecular Properties

Compound Name3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid
PubChem CID171501655
Molecular FormulaC12H9F2N3O3S
Molecular Weight313.29 g/mol
Exact Mass313.03
IUPAC Name3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid
SMILESO=C(Nc1cccnc1S(=O)O)c1ccc(C(F)F)nc1
InChIInChI=1S/C12H9F2N3O3S/c13-10(14)8-4-3-7(6-16-8)11(18)17-9-2-1-5-15-12(9)21(19)20/h1-6,10H,(H,17,18)(H,19,20)
InChIKeyRYXWPWRKNIZYBG-UHFFFAOYSA-N
XLogP2.25
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-cyanopyridine-3-carbonyl)amino]pyridine-2-sulfinic acid
CID 171501249
3-[[6-(1-cyanocyclopropyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinate
CID 171501290
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472
5-chloro-2-[(6-methylpyridine-3-carbonyl)amino]benzenesulfinic acid
CID 171502265
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
5-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121186
6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109163204
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
6-amino-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62155230
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid?
The IUPAC name of 3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid (CID 171501655) is 3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid.
What is the SMILES notation for 3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid?
The canonical SMILES for 3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid is O=C(Nc1cccnc1S(=O)O)c1ccc(C(F)F)nc1.
What is the InChIKey of 3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid?
The InChIKey is RYXWPWRKNIZYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O3S/c13-10(14)8-4-3-7(6-16-8)11(18)17-9-2-1-5-15-12(9)21(19)20/h1-6,10H,(H,17,18)(H,19,20).
What are the key properties of 3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid?
3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid has a molecular weight of 313.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(difluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfinic acid is sourced from PubChem (CID 171501655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).