5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride

C6H3ClF2N2O5S — CID 131337922

IUPAC5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride
SMILESO=[N+]([O-])c1ncc(C(F)F)c(S(=O)(=O)Cl)c1O
InChIInChI=1S/C6H3ClF2N2O5S/c7-17(15,16)4-2(5(8)9)1-10-6(3(4)12)11(13)14/h1,5,12H
InChIKeySYBSIFPMGNKEQO-UHFFFAOYSA-N
MW288.62 g/mol
LogP1.56
Rot. Bonds3

About 5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride

5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride (PubChem CID 131337922) has the molecular formula C6H3ClF2N2O5S and a molecular weight of 288.62 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride
PubChem CID131337922
Molecular FormulaC6H3ClF2N2O5S
Molecular Weight288.62 g/mol
Exact Mass287.94
IUPAC Name5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride
SMILESO=[N+]([O-])c1ncc(C(F)F)c(S(=O)(=O)Cl)c1O
InChIInChI=1S/C6H3ClF2N2O5S/c7-17(15,16)4-2(5(8)9)1-10-6(3(4)12)11(13)14/h1,5,12H
InChIKeySYBSIFPMGNKEQO-UHFFFAOYSA-N
XLogP1.56
TPSA110.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 51.56
H-Bond Donors ≤ 51
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

4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 118828181
4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446510
5-chloro-4-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446496
5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine
CID 130101236
4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102613
3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride
CID 134685592
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795
5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde
CID 130086717
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134667753
3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130096577
4-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 118844275
2-bromo-6-(difluoromethyl)-3-nitrobenzenesulfonyl chloride
CID 172969002

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride?
The IUPAC name of 5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride (CID 131337922) is 5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride is O=[N+]([O-])c1ncc(C(F)F)c(S(=O)(=O)Cl)c1O.
What is the InChIKey of 5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride?
The InChIKey is SYBSIFPMGNKEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2N2O5S/c7-17(15,16)4-2(5(8)9)1-10-6(3(4)12)11(13)14/h1,5,12H.
What are the key properties of 5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride?
5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride has a molecular weight of 288.62 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride is sourced from PubChem (CID 131337922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).