6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide

C6H6F2N4O4S — CID 119011354

IUPAC6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
SMILESNc1nc([N+](=O)[O-])c(S(N)(=O)=O)cc1C(F)F
InChIInChI=1S/C6H6F2N4O4S/c7-4(8)2-1-3(17(10,15)16)6(12(13)14)11-5(2)9/h1,4H,(H2,9,11)(H2,10,15,16)
InChIKeyPOVPBTQYAYULCH-UHFFFAOYSA-N
MW268.20 g/mol
LogP0.16
Rot. Bonds3

About 6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide

6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide (PubChem CID 119011354) has the molecular formula C6H6F2N4O4S and a molecular weight of 268.20 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
PubChem CID119011354
Molecular FormulaC6H6F2N4O4S
Molecular Weight268.20 g/mol
Exact Mass268.01
IUPAC Name6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
SMILESNc1nc([N+](=O)[O-])c(S(N)(=O)=O)cc1C(F)F
InChIInChI=1S/C6H6F2N4O4S/c7-4(8)2-1-3(17(10,15)16)6(12(13)14)11-5(2)9/h1,4H,(H2,9,11)(H2,10,15,16)
InChIKeyPOVPBTQYAYULCH-UHFFFAOYSA-N
XLogP0.16
TPSA142.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971
6-amino-3-(difluoromethyl)-2-nitropyridine-4-sulfonamide
CID 134676922
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
3-(difluoromethyl)-6-iodo-5-nitropyridin-2-amine
CID 118997575
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
4-(difluoromethyl)-6-nitropyridine-3-sulfonamide
CID 118852112
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606
4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
CID 130103945
5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 130101818
6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 119023564
5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134664491
4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide
CID 118807407

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide (CID 119011354) is 6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide is Nc1nc([N+](=O)[O-])c(S(N)(=O)=O)cc1C(F)F.
What is the InChIKey of 6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide?
The InChIKey is POVPBTQYAYULCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N4O4S/c7-4(8)2-1-3(17(10,15)16)6(12(13)14)11-5(2)9/h1,4H,(H2,9,11)(H2,10,15,16).
What are the key properties of 6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide?
6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide has a molecular weight of 268.20 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide is sourced from PubChem (CID 119011354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).