acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine

C77H90Cl3F15IN19O9 — CID 161137551

IUPACacetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCC(=O)Cc1cnc(N(C)C)c(C(F)(F)F)c1.CC(=O)Cl.CN(C)c1ncc(N)cc1C(F)(F)F.CN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F.Cc1ccc(CCC(=O)Cc2cnc(N(C)C)c(C(F)(F)F)c2)c(N2CCC(C)CC2)n1.Cc1ccc(CN)c(N2CCC(C)CC2)n1.O=[N+]([O-])c1cnc(C(F)(F)F)c(Cl)c1.O=[N+]([O-])c1cnc(Cl)c(I)c1
InChIInChI=1S/C24H31F3N4O.C13H21N3.C11H13F3N2O.C8H8F3N3O2.C8H10F3N3.C6H2ClF3N2O2.C5H2ClIN2O2.C2H3ClO/c1-16-9-11-31(12-10-16)22-19(6-5-17(2)29-22)7-8-20(32)13-18-14-21(24(25,26)27)23(28-15-18)30(3)4;1-10-5-7-16(8-6-10)13-12(9-14)4-3-11(2)15-13;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;7-4-1-3(12(13)14)2-11-5(4)6(8,9)10;6-5-4(7)1-3(2-8-5)9(10)11;1-2(3)4/h5-6,14-16H,7-13H2,1-4H3;3-4,10H,5-9,14H2,1-2H3;5-6H,4H2,1-3H3;3-4H,1-2H3;3-4H,12H2,1-2H3;1-2H;1-2H;1H3
InChIKeyUMZMWGDHUSTDRV-UHFFFAOYSA-N
MW1943.92 g/mol
LogP18.74
Rot. Bonds17

About acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine

acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 161137551) has the molecular formula C77H90Cl3F15IN19O9 and a molecular weight of 1943.92 g/mol. Its IUPAC name is acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Nameacetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
PubChem CID161137551
Molecular FormulaC77H90Cl3F15IN19O9
Molecular Weight1943.92 g/mol
Exact Mass1941.50
IUPAC Nameacetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCC(=O)Cc1cnc(N(C)C)c(C(F)(F)F)c1.CC(=O)Cl.CN(C)c1ncc(N)cc1C(F)(F)F.CN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F.Cc1ccc(CCC(=O)Cc2cnc(N(C)C)c(C(F)(F)F)c2)c(N2CCC(C)CC2)n1.Cc1ccc(CN)c(N2CCC(C)CC2)n1.O=[N+]([O-])c1cnc(C(F)(F)F)c(Cl)c1.O=[N+]([O-])c1cnc(Cl)c(I)c1
InChIInChI=1S/C24H31F3N4O.C13H21N3.C11H13F3N2O.C8H8F3N3O2.C8H10F3N3.C6H2ClF3N2O2.C5H2ClIN2O2.C2H3ClO/c1-16-9-11-31(12-10-16)22-19(6-5-17(2)29-22)7-8-20(32)13-18-14-21(24(25,26)27)23(28-15-18)30(3)4;1-10-5-7-16(8-6-10)13-12(9-14)4-3-11(2)15-13;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;7-4-1-3(12(13)14)2-11-5(4)6(8,9)10;6-5-4(7)1-3(2-8-5)9(10)11;1-2(3)4/h5-6,14-16H,7-13H2,1-4H3;3-4,10H,5-9,14H2,1-2H3;5-6H,4H2,1-3H3;3-4H,1-2H3;3-4H,12H2,1-2H3;1-2H;1-2H;1H3
InChIKeyUMZMWGDHUSTDRV-UHFFFAOYSA-N
XLogP18.74
TPSA355.23 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001943.92
LogP ≤ 518.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', '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'}

Analyze acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine (CID 161137551) is acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine is CC(=O)Cc1cnc(N(C)C)c(C(F)(F)F)c1.CC(=O)Cl.CN(C)c1ncc(N)cc1C(F)(F)F.CN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F.Cc1ccc(CCC(=O)Cc2cnc(N(C)C)c(C(F)(F)F)c2)c(N2CCC(C)CC2)n1.Cc1ccc(CN)c(N2CCC(C)CC2)n1.O=[N+]([O-])c1cnc(C(F)(F)F)c(Cl)c1.O=[N+]([O-])c1cnc(Cl)c(I)c1.
What is the InChIKey of acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is UMZMWGDHUSTDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4O.C13H21N3.C11H13F3N2O.C8H8F3N3O2.C8H10F3N3.C6H2ClF3N2O2.C5H2ClIN2O2.C2H3ClO/c1-16-9-11-31(12-10-16)22-19(6-5-17(2)29-22)7-8-20(32)13-18-14-21(24(25,26)27)23(28-15-18)30(3)4;1-10-5-7-16(8-6-10)13-12(9-14)4-3-11(2)15-13;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;7-4-1-3(12(13)14)2-11-5(4)6(8,9)10;6-5-4(7)1-3(2-8-5)9(10)11;1-2(3)4/h5-6,14-16H,7-13H2,1-4H3;3-4,10H,5-9,14H2,1-2H3;5-6H,4H2,1-3H3;3-4H,1-2H3;3-4H,12H2,1-2H3;1-2H;1-2H;1H3.
What are the key properties of acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 1943.92 g/mol, XLogP of 18.74, 17 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;2-chloro-3-iodo-5-nitropyridine;3-chloro-5-nitro-2-(trifluoromethyl)pyridine;1-[6-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;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;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 161137551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).