2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine

C71H69Cl4F15IN19O8 — CID 162054399

About 2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine

2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine (PubChem CID 162054399) has the molecular formula C71H69Cl4F15IN19O8 and a molecular weight of 1870.14 g/mol. Its IUPAC name is 2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine.

Molecular Properties

• Compound Name: 2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine
• PubChem CID: 162054399
• Molecular Formula: C71H69Cl4F15IN19O8
• Molecular Weight: 1870.14 g/mol
• Exact Mass: 1867.31
• IUPAC Name: 2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine
• SMILES: CC(=O)Cc1cnc(N(C)C)c(C(F)(F)F)c1.CN(C)c1ncc(N)cc1C(F)(F)F.CN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F.Cc1cc(CCC(=O)Cc2cnc(N(C)C)c(C(F)(F)F)c2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.O=[N+]([O-])c1cnc(Cl)c(C(F)(F)F)c1.O=[N+]([O-])c1cnc(Cl)c(I)c1
• InChI: InChI=1S/C22H22ClF3N4O.C11H12ClN3.C11H13F3N2O.C8H8F3N3O2.C8H10F3N3.C6H2ClF3N2O2.C5H2ClIN2O2/c1-14-9-18(30(28-14)17-6-4-5-16(23)12-17)7-8-19(31)10-15-11-20(22(24,25)26)21(27-13-15)29(2)3;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-7(17)4-8-5-9(11(12,13)14)10(15-6-8)16(2)3;1-13(2)7-6(8(9,10)11)3-5(4-12-7)14(15)16;1-14(2)7-6(8(9,10)11)3-5(12)4-13-7;7-5-4(6(8,9)10)1-3(2-11-5)12(13)14;6-5-4(7)1-3(2-8-5)9(10)11/h4-6,9,11-13H,7-8,10H2,1-3H3;2-6H,7,13H2,1H3;5-6H,4H2,1-3H3;3-4H,1-2H3;3-4H,12H2,1-2H3;1-2H;1-2H
• InChIKey: YYZFVVZFNWTRSZ-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 341.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1870.14
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine?

The IUPAC name of 2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine (CID 162054399) is 2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine.

What is the SMILES notation for 2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine?

The canonical SMILES for 2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine is CC(=O)Cc1cnc(N(C)C)c(C(F)(F)F)c1.CN(C)c1ncc(N)cc1C(F)(F)F.CN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F.Cc1cc(CCC(=O)Cc2cnc(N(C)C)c(C(F)(F)F)c2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.O=[N+]([O-])c1cnc(Cl)c(C(F)(F)F)c1.O=[N+]([O-])c1cnc(Cl)c(I)c1.

What is the InChIKey of 2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine?

The InChIKey is YYZFVVZFNWTRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N4O.C11H12ClN3.C11H13F3N2O.C8H8F3N3O2.C8H10F3N3.C6H2ClF3N2O2.C5H2ClIN2O2/c1-14-9-18(30(28-14)17-6-4-5-16(23)12-17)7-8-19(31)10-15-11-20(22(24,25)26)21(27-13-15)29(2)3;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-7(17)4-8-5-9(11(12,13)14)10(15-6-8)16(2)3;1-13(2)7-6(8(9,10)11)3-5(4-12-7)14(15)16;1-14(2)7-6(8(9,10)11)3-5(12)4-13-7;7-5-4(6(8,9)10)1-3(2-11-5)12(13)14;6-5-4(7)1-3(2-8-5)9(10)11/h4-6,9,11-13H,7-8,10H2,1-3H3;2-6H,7,13H2,1H3;5-6H,4H2,1-3H3;3-4H,1-2H3;3-4H,12H2,1-2H3;1-2H;1-2H.

What are the key properties of 2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine?

2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine has a molecular weight of 1870.14 g/mol, XLogP of 18.38, 17 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-iodo-5-nitropyridine;2-chloro-5-nitro-3-(trifluoromethyl)pyridine;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine;2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine is sourced from PubChem (CID 162054399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).