6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine

C11H7F2N3O2S — CID 80884801

IUPAC6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C11H7F2N3O2S/c12-6-1-2-7(13)9(5-6)19-11-8(16(17)18)3-4-10(14)15-11/h1-5H,(H2,14,15)
InChIKeyJEOPNMIFKCDOGX-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.00
Rot. Bonds3

About 6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine

6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine (PubChem CID 80884801) has the molecular formula C11H7F2N3O2S and a molecular weight of 283.26 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine
PubChem CID80884801
Molecular FormulaC11H7F2N3O2S
Molecular Weight283.26 g/mol
Exact Mass283.02
IUPAC Name6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C11H7F2N3O2S/c12-6-1-2-7(13)9(5-6)19-11-8(16(17)18)3-4-10(14)15-11/h1-5H,(H2,14,15)
InChIKeyJEOPNMIFKCDOGX-UHFFFAOYSA-N
XLogP3.00
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(6-amino-3-nitro-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
CID 80885230
5-(2,5-difluorophenyl)sulfanyl-2-nitroaniline
CID 106752195
6-(2,5-difluorophenyl)sulfanyl-5-nitropyridine-3-carboxylic acid
CID 81447801
3-(2,5-difluorophenyl)sulfanyl-4-nitrobenzonitrile
CID 133478494
6-tert-butylsulfanyl-5-nitropyridin-2-amine
CID 80888606
6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine
CID 43260475
1-[5-(2,5-difluorophenyl)sulfanyl-2-nitrophenyl]ethanone
CID 104613917
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine
CID 80889283
6-(2-fluorophenyl)sulfanyl-5-nitropyridine-2-carboxylic acid
CID 114404746
5-nitro-6-pentylsulfanylpyridin-2-amine
CID 107765410
5-nitro-6-quinazolin-4-ylsulfanylpyridin-2-amine
CID 80873514
2-N-(3-bromo-4-fluorophenyl)-3-nitropyridine-2,6-diamine
CID 104782017

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine (CID 80884801) is 6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine is Nc1ccc([N+](=O)[O-])c(Sc2cc(F)ccc2F)n1.
What is the InChIKey of 6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine?
The InChIKey is JEOPNMIFKCDOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O2S/c12-6-1-2-7(13)9(5-6)19-11-8(16(17)18)3-4-10(14)15-11/h1-5H,(H2,14,15).
What are the key properties of 6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine?
6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine has a molecular weight of 283.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80884801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).