2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide

C9H8F4N4O3 — CID 106295603

IUPAC2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC(F)(F)C(F)F)c([N+](=O)[O-])cn1
InChIInChI=1S/C9H8F4N4O3/c10-8(11)9(12,13)3-16-7(18)4-1-6(14)15-2-5(4)17(19)20/h1-2,8H,3H2,(H2,14,15)(H,16,18)
InChIKeyPMRRWYYHKJLQMC-UHFFFAOYSA-N
MW296.18 g/mol
LogP1.20
Rot. Bonds5

About 2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide

2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide (PubChem CID 106295603) has the molecular formula C9H8F4N4O3 and a molecular weight of 296.18 g/mol. Its IUPAC name is 2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
PubChem CID106295603
Molecular FormulaC9H8F4N4O3
Molecular Weight296.18 g/mol
Exact Mass296.05
IUPAC Name2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC(F)(F)C(F)F)c([N+](=O)[O-])cn1
InChIInChI=1S/C9H8F4N4O3/c10-8(11)9(12,13)3-16-7(18)4-1-6(14)15-2-5(4)17(19)20/h1-2,8H,3H2,(H2,14,15)(H,16,18)
InChIKeyPMRRWYYHKJLQMC-UHFFFAOYSA-N
XLogP1.20
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 51.20
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-methylsulfanylethyl)-5-nitropyridine-4-carboxamide
CID 114090110
2-chloro-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-carboxamide
CID 106291227
3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295547
2-amino-5-nitropyridine-4-carboxamide
CID 19034952
2-amino-5-nitropyridine-4-carboxylate
CID 71302450
2-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 103528773
4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103577982
2-chloro-N-(2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide
CID 113250953
2-amino-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106218076
5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289101
2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide
CID 114089856
2-amino-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 114169847

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide (CID 106295603) is 2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCC(F)(F)C(F)F)c([N+](=O)[O-])cn1.
What is the InChIKey of 2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The InChIKey is PMRRWYYHKJLQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N4O3/c10-8(11)9(12,13)3-16-7(18)4-1-6(14)15-2-5(4)17(19)20/h1-2,8H,3H2,(H2,14,15)(H,16,18).
What are the key properties of 2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide has a molecular weight of 296.18 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide is sourced from PubChem (CID 106295603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).