3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine

C8H7F4N3O2 — CID 106293565

IUPAC3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCC(F)(F)C(F)F
InChIInChI=1S/C8H7F4N3O2/c9-7(10)8(11,12)4-14-6-5(15(16)17)2-1-3-13-6/h1-3,7H,4H2,(H,13,14)
InChIKeyUJAXEOMBIVOBOF-UHFFFAOYSA-N
MW253.16 g/mol
LogP2.30
Rot. Bonds5

About 3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine

3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine (PubChem CID 106293565) has the molecular formula C8H7F4N3O2 and a molecular weight of 253.16 g/mol. Its IUPAC name is 3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
PubChem CID106293565
Molecular FormulaC8H7F4N3O2
Molecular Weight253.16 g/mol
Exact Mass253.05
IUPAC Name3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NCC(F)(F)C(F)F
InChIInChI=1S/C8H7F4N3O2/c9-7(10)8(11,12)4-14-6-5(15(16)17)2-1-3-13-6/h1-3,7H,4H2,(H,13,14)
InChIKeyUJAXEOMBIVOBOF-UHFFFAOYSA-N
XLogP2.30
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
2-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-3-amine
CID 106293612
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine
CID 106293717
(2R)-2-N-benzyl-3,3,3-trifluoro-1-N-(3-nitro-2-pyridinyl)propane-1,2-diamine
CID 124743986
N-but-2-ynyl-3-nitropyridin-2-amine
CID 115869256
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
3-propan-2-yloxy-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 114169605
N-tert-butyl-3-nitropyridin-2-amine;ethene
CID 144870417
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-methyl-3-nitropyridin-2-amine
CID 556349
3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 15567578

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine?
The IUPAC name of 3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine (CID 106293565) is 3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine is O=[N+]([O-])c1cccnc1NCC(F)(F)C(F)F.
What is the InChIKey of 3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine?
The InChIKey is UJAXEOMBIVOBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N3O2/c9-7(10)8(11,12)4-14-6-5(15(16)17)2-1-3-13-6/h1-3,7H,4H2,(H,13,14).
What are the key properties of 3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine?
3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine has a molecular weight of 253.16 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine is sourced from PubChem (CID 106293565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).