5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane

C39H30F16N14O11S2 — CID 167703950

IUPAC5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.N#Cc1ncc(C(=O)Nc2cc(F)c(=O)n(CC(F)(F)F)c2)s1.N#Cc1ncc(C(=O)O)s1.NN.Nc1cc(F)c(=O)n(CC(F)(F)F)c1.O=c1[nH]cc([N+](=O)[O-])cc1F.O=c1c(F)cc([N+](=O)[O-])cn1CC(F)(F)F
InChIInChI=1S/C12H6F4N4O2S.C7H4F4N2O3.C7H6F4N2O.C5H3FN2O3.C5H2N2O2S.C3H5F3.H4N2/c13-7-1-6(4-20(11(7)22)5-12(14,15)16)19-10(21)8-3-18-9(2-17)23-8;8-5-1-4(13(15)16)2-12(6(5)14)3-7(9,10)11;8-5-1-4(12)2-13(6(5)14)3-7(9,10)11;6-4-1-3(8(10)11)2-7-5(4)9;6-1-4-7-2-3(10-4)5(8)9;1-2-3(4,5)6;1-2/h1,3-4H,5H2,(H,19,21);1-2H,3H2;1-2H,3,12H2;1-2H,(H,7,9);2H,(H,8,9);2H2,1H3;1-2H2
InChIKeyYUWZVUIPUJFUJZ-UHFFFAOYSA-N
MW1238.86 g/mol
LogP6.63
Rot. Bonds8

About 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane

5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane (PubChem CID 167703950) has the molecular formula C39H30F16N14O11S2 and a molecular weight of 1238.86 g/mol. Its IUPAC name is 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane.

Molecular Properties

Compound Name5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane
PubChem CID167703950
Molecular FormulaC39H30F16N14O11S2
Molecular Weight1238.86 g/mol
Exact Mass1238.14
IUPAC Name5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane
SMILESCCC(F)(F)F.N#Cc1ncc(C(=O)Nc2cc(F)c(=O)n(CC(F)(F)F)c2)s1.N#Cc1ncc(C(=O)O)s1.NN.Nc1cc(F)c(=O)n(CC(F)(F)F)c1.O=c1[nH]cc([N+](=O)[O-])cc1F.O=c1c(F)cc([N+](=O)[O-])cn1CC(F)(F)F
InChIInChI=1S/C12H6F4N4O2S.C7H4F4N2O3.C7H6F4N2O.C5H3FN2O3.C5H2N2O2S.C3H5F3.H4N2/c13-7-1-6(4-20(11(7)22)5-12(14,15)16)19-10(21)8-3-18-9(2-17)23-8;8-5-1-4(13(15)16)2-12(6(5)14)3-7(9,10)11;8-5-1-4(12)2-13(6(5)14)3-7(9,10)11;6-4-1-3(8(10)11)2-7-5(4)9;6-1-4-7-2-3(10-4)5(8)9;1-2-3(4,5)6;1-2/h1,3-4H,5H2,(H,19,21);1-2H,3H2;1-2H,3,12H2;1-2H,(H,7,9);2H,(H,8,9);2H2,1H3;1-2H2
InChIKeyYUWZVUIPUJFUJZ-UHFFFAOYSA-N
XLogP6.63
TPSA402.96 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001238.86
LogP ≤ 56.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane?
The IUPAC name of 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane (CID 167703950) is 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane.
What is the SMILES notation for 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane?
The canonical SMILES for 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane is CCC(F)(F)F.N#Cc1ncc(C(=O)Nc2cc(F)c(=O)n(CC(F)(F)F)c2)s1.N#Cc1ncc(C(=O)O)s1.NN.Nc1cc(F)c(=O)n(CC(F)(F)F)c1.O=c1[nH]cc([N+](=O)[O-])cc1F.O=c1c(F)cc([N+](=O)[O-])cn1CC(F)(F)F.
What is the InChIKey of 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane?
The InChIKey is YUWZVUIPUJFUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4N4O2S.C7H4F4N2O3.C7H6F4N2O.C5H3FN2O3.C5H2N2O2S.C3H5F3.H4N2/c13-7-1-6(4-20(11(7)22)5-12(14,15)16)19-10(21)8-3-18-9(2-17)23-8;8-5-1-4(13(15)16)2-12(6(5)14)3-7(9,10)11;8-5-1-4(12)2-13(6(5)14)3-7(9,10)11;6-4-1-3(8(10)11)2-7-5(4)9;6-1-4-7-2-3(10-4)5(8)9;1-2-3(4,5)6;1-2/h1,3-4H,5H2,(H,19,21);1-2H,3H2;1-2H,3,12H2;1-2H,(H,7,9);2H,(H,8,9);2H2,1H3;1-2H2.
What are the key properties of 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane?
5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane has a molecular weight of 1238.86 g/mol, XLogP of 6.63, 8 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide;2-cyano-1,3-thiazole-5-carboxylic acid;3-fluoro-5-nitro-1H-pyridin-2-one;3-fluoro-5-nitro-1-(2,2,2-trifluoroethyl)pyridin-2-one;hydrazine;1,1,1-trifluoropropane is sourced from PubChem (CID 167703950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).