methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one

C74H86F9N11O6Pt — CID 158273321

IUPACmethyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one
SMILESCC(C)Cc1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.CC(C)Cc1ccc(C(=O)O)nc1.CC(C)Cc1ccc(C(O)=CC(=O)C(F)(F)F)nc1.CC(C)Cc1ccc(C2=CC(C(F)(F)F)=NC2)nc1.COC(=O)c1ccc(CC(C)C)cn1.Cc1cc(-c2ccc(CC(C)C)cn2)[n-]n1.[Pt+2]
InChIInChI=1S/C14H15F3N2.C13H13F3N3.C13H14F3NO2.C13H16N3.C11H15NO2.C10H13NO2.Pt/c1-9(2)5-10-3-4-12(18-7-10)11-6-13(19-8-11)14(15,16)17;1-8(2)5-9-3-4-10(17-7-9)11-6-12(19-18-11)13(14,15)16;1-8(2)5-9-3-4-10(17-7-9)11(18)6-12(19)13(14,15)16;1-9(2)6-11-4-5-12(14-8-11)13-7-10(3)15-16-13;1-8(2)6-9-4-5-10(12-7-9)11(13)14-3;1-7(2)5-8-3-4-9(10(12)13)11-6-8;/h3-4,6-7,9H,5,8H2,1-2H3;3-4,6-8H,5H2,1-2H3;3-4,6-8,18H,5H2,1-2H3;4-5,7-9H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-4,6-7H,5H2,1-2H3,(H,12,13);/q;-1;;-1;;;+2
InChIKeyQQTLVXIPDJRKJY-UHFFFAOYSA-N
MW1591.63 g/mol
LogP16.96
Rot. Bonds19

About methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one

methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one (PubChem CID 158273321) has the molecular formula C74H86F9N11O6Pt and a molecular weight of 1591.63 g/mol. Its IUPAC name is methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one.

Molecular Properties

Compound Namemethyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one
PubChem CID158273321
Molecular FormulaC74H86F9N11O6Pt
Molecular Weight1591.63 g/mol
Exact Mass1590.63
IUPAC Namemethyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one
SMILESCC(C)Cc1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.CC(C)Cc1ccc(C(=O)O)nc1.CC(C)Cc1ccc(C(O)=CC(=O)C(F)(F)F)nc1.CC(C)Cc1ccc(C2=CC(C(F)(F)F)=NC2)nc1.COC(=O)c1ccc(CC(C)C)cn1.Cc1cc(-c2ccc(CC(C)C)cn2)[n-]n1.[Pt+2]
InChIInChI=1S/C14H15F3N2.C13H13F3N3.C13H14F3NO2.C13H16N3.C11H15NO2.C10H13NO2.Pt/c1-9(2)5-10-3-4-12(18-7-10)11-6-13(19-8-11)14(15,16)17;1-8(2)5-9-3-4-10(17-7-9)11-6-12(19-18-11)13(14,15)16;1-8(2)5-9-3-4-10(17-7-9)11(18)6-12(19)13(14,15)16;1-9(2)6-11-4-5-12(14-8-11)13-7-10(3)15-16-13;1-8(2)6-9-4-5-10(12-7-9)11(13)14-3;1-7(2)5-8-3-4-9(10(12)13)11-6-8;/h3-4,6-7,9H,5,8H2,1-2H3;3-4,6-8H,5H2,1-2H3;3-4,6-8,18H,5H2,1-2H3;4-5,7-9H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-4,6-7H,5H2,1-2H3,(H,12,13);/q;-1;;-1;;;+2
InChIKeyQQTLVXIPDJRKJY-UHFFFAOYSA-N
XLogP16.96
TPSA244.58 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.63
LogP ≤ 516.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 139140582
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510475
2-(4-Carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)
CID 144596543
Bis(2-(4-carboxy-2-pyridinyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine-4-carboxylic acid);ruthenium(2+)
CID 145623526
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(3,4-difluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 145639270
Bis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;propane;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157153345
2-[2,4-Bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;2-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;chloroiridium(2+);tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);pentakis(iridium);methanidylcyclohexane;2-pyrazol-2-id-3-ylpyridine;pyridine-2-carboxylic acid;triethoxyphosphanium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;triphenylphosphanium;cyanide;isothiocyanate
CID 157263498
2-(3,3,4,4,5,5-Hexafluorocyclopenten-1-yl)-4-methoxypyridine;bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);bis(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid)
CID 157289839
bis(2,6-dimethoxy-3-pyridin-2-yl-4H-pyridin-4-ide);bis(2,6-dimethoxy-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide);tetrakis(iridium);bis(6-methoxy-2-methyl-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(6-methoxy-2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide);tetrakis(pyridine-2-carboxylic acid)
CID 157304481
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(3-fluoropyrazol-1-id-5-yl)pyridine;2-(5-fluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pentakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157335050
bis(1,1'-biphenyl);2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;3-(2,4-difluorobenzene-6-id-1-yl)pyridazine;2-[2-fluoro-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);iridium(3+);methanone;2-(4-methoxybenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine);2-phosphanylethylphosphane;pyridine-2-carboxylic acid;chloride;cyanide
CID 157340731
2,6-Bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(pyridine-2,6-dicarboxylic acid);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium
CID 157453449

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one?
The IUPAC name of methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one (CID 158273321) is methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one.
What is the SMILES notation for methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one?
The canonical SMILES for methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one is CC(C)Cc1ccc(-c2cc(C(F)(F)F)n[n-]2)nc1.CC(C)Cc1ccc(C(=O)O)nc1.CC(C)Cc1ccc(C(O)=CC(=O)C(F)(F)F)nc1.CC(C)Cc1ccc(C2=CC(C(F)(F)F)=NC2)nc1.COC(=O)c1ccc(CC(C)C)cn1.Cc1cc(-c2ccc(CC(C)C)cn2)[n-]n1.[Pt+2].
What is the InChIKey of methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one?
The InChIKey is QQTLVXIPDJRKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2.C13H13F3N3.C13H14F3NO2.C13H16N3.C11H15NO2.C10H13NO2.Pt/c1-9(2)5-10-3-4-12(18-7-10)11-6-13(19-8-11)14(15,16)17;1-8(2)5-9-3-4-10(17-7-9)11-6-12(19-18-11)13(14,15)16;1-8(2)5-9-3-4-10(17-7-9)11(18)6-12(19)13(14,15)16;1-9(2)6-11-4-5-12(14-8-11)13-7-10(3)15-16-13;1-8(2)6-9-4-5-10(12-7-9)11(13)14-3;1-7(2)5-8-3-4-9(10(12)13)11-6-8;/h3-4,6-7,9H,5,8H2,1-2H3;3-4,6-8H,5H2,1-2H3;3-4,6-8,18H,5H2,1-2H3;4-5,7-9H,6H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-4,6-7H,5H2,1-2H3,(H,12,13);/q;-1;;-1;;;+2.
What are the key properties of methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one?
methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one has a molecular weight of 1591.63 g/mol, XLogP of 16.96, 19 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one is sourced from PubChem (CID 158273321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).