2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine

C₈₄H₇₃F₂₇N₂₀O₈ — CID 161069489

About 2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine

2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine (PubChem CID 161069489) has the molecular formula C₈₄H₇₃F₂₇N₂₀O₈ and a molecular weight of 2003.59 g/mol. Its IUPAC name is 2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine.

Molecular Properties

• Compound Name: 2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine
• PubChem CID: 161069489
• Molecular Formula: C₈₄H₇₃F₂₇N₂₀O₈
• Molecular Weight: 2003.59 g/mol
• Exact Mass: 2002.55
• IUPAC Name: 2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine
• SMILES: CCc1ccc(C(F)(F)F)nc1C.Cc1nc(C(F)(F)F)ccc1C(=O)CC#N.Cc1nc(C(F)(F)F)ccc1C(=O)CN.Cc1nc(C(F)(F)F)ccc1CC(=O)O.FC(F)(F)c1ccc2cc3c(nc2n1)CCNC3.NCCc1ncnc2nc(C(F)(F)F)ccc12.Nc1nc(C(F)(F)F)ccc1C=O.Nc1nc(C(F)(F)F)ccc1CO.O=C(O)CCc1ncnc2nc(C(F)(F)F)ccc12
• InChI: InChI=1S/C12H10F3N3.C11H8F3N3O2.C10H9F3N4.C10H7F3N2O.C9H9F3N2O.C9H8F3NO2.C9H10F3N.C7H7F3N2O.C7H5F3N2O/c13-12(14,15)10-2-1-7-5-8-6-16-4-3-9(8)17-11(7)18-10;12-11(13,14)8-3-1-6-7(2-4-9(18)19)15-5-16-10(6)17-8;11-10(12,13)8-2-1-6-7(3-4-14)15-5-16-9(6)17-8;1-6-7(8(16)4-5-14)2-3-9(15-6)10(11,12)13;1-5-6(7(15)4-13)2-3-8(14-5)9(10,11)12;1-5-6(4-8(14)15)2-3-7(13-5)9(10,11)12;1-3-7-4-5-8(9(10,11)12)13-6(7)2;2*8-7(9,10)5-2-1-4(3-13)6(11)12-5/h1-2,5,16H,3-4,6H2;1,3,5H,2,4H2,(H,18,19);1-2,5H,3-4,14H2;2-3H,4H2,1H3;2-3H,4,13H2,1H3;2-3H,4H2,1H3,(H,14,15);4-5H,3H2,1-2H3;1-2,13H,3H2,(H2,11,12);1-3H,(H2,11,12)
• InChIKey: UELUXNTXGQGJRP-UHFFFAOYSA-N
• XLogP: 17.63
• TPSA: 466.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2003.59
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine?

The IUPAC name of 2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine (CID 161069489) is 2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine.

What is the SMILES notation for 2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine?

The canonical SMILES for 2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine is CCc1ccc(C(F)(F)F)nc1C.Cc1nc(C(F)(F)F)ccc1C(=O)CC#N.Cc1nc(C(F)(F)F)ccc1C(=O)CN.Cc1nc(C(F)(F)F)ccc1CC(=O)O.FC(F)(F)c1ccc2cc3c(nc2n1)CCNC3.NCCc1ncnc2nc(C(F)(F)F)ccc12.Nc1nc(C(F)(F)F)ccc1C=O.Nc1nc(C(F)(F)F)ccc1CO.O=C(O)CCc1ncnc2nc(C(F)(F)F)ccc12.

What is the InChIKey of 2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine?

The InChIKey is UELUXNTXGQGJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3.C11H8F3N3O2.C10H9F3N4.C10H7F3N2O.C9H9F3N2O.C9H8F3NO2.C9H10F3N.C7H7F3N2O.C7H5F3N2O/c13-12(14,15)10-2-1-7-5-8-6-16-4-3-9(8)17-11(7)18-10;12-11(13,14)8-3-1-6-7(2-4-9(18)19)15-5-16-10(6)17-8;11-10(12,13)8-2-1-6-7(3-4-14)15-5-16-9(6)17-8;1-6-7(8(16)4-5-14)2-3-9(15-6)10(11,12)13;1-5-6(7(15)4-13)2-3-8(14-5)9(10,11)12;1-5-6(4-8(14)15)2-3-7(13-5)9(10,11)12;1-3-7-4-5-8(9(10,11)12)13-6(7)2;2*8-7(9,10)5-2-1-4(3-13)6(11)12-5/h1-2,5,16H,3-4,6H2;1,3,5H,2,4H2,(H,18,19);1-2,5H,3-4,14H2;2-3H,4H2,1H3;2-3H,4,13H2,1H3;2-3H,4H2,1H3,(H,14,15);4-5H,3H2,1-2H3;1-2,13H,3H2,(H2,11,12);1-3H,(H2,11,12).

What are the key properties of 2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine?

2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine has a molecular weight of 2003.59 g/mol, XLogP of 17.63, 14 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-amino-6-(trifluoromethyl)pyridine-3-carbaldehyde;[2-amino-6-(trifluoromethyl)-3-pyridinyl]methanol;3-ethyl-2-methyl-6-(trifluoromethyl)pyridine;2-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetic acid;3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-3-oxopropanenitrile;2-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]ethanamine;3-[7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-yl]propanoic acid;2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[4,3-b][1,8]naphthyridine is sourced from PubChem (CID 161069489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161069489 — identifiers, structure, computed properties (public domain)

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