4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc

C36H35BrF9N9O2Zn — CID 163474992

IUPAC4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc
SMILESCc1cnccc1Br.Cc1cnccc1C(O)c1ccn(CC(F)(F)F)n1.Cc1cnccc1Cc1ccn(CC(F)(F)F)n1.O=Cc1ccn(CC(F)(F)F)n1.[Zn]
InChIInChI=1S/C12H12F3N3O.C12H12F3N3.C6H6BrN.C6H5F3N2O.Zn/c1-8-6-16-4-2-9(8)11(19)10-3-5-18(17-10)7-12(13,14)15;1-9-7-16-4-2-10(9)6-11-3-5-18(17-11)8-12(13,14)15;1-5-4-8-3-2-6(5)7;7-6(8,9)4-11-2-1-5(3-12)10-11;/h2-6,11,19H,7H2,1H3;2-5,7H,6,8H2,1H3;2-4H,1H3;1-3H,4H2;
InChIKeyBZRWCMVWPPGHQG-UHFFFAOYSA-N
MW942.01 g/mol
LogP8.38
Rot. Bonds8

About 4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc

4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc (PubChem CID 163474992) has the molecular formula C36H35BrF9N9O2Zn and a molecular weight of 942.01 g/mol. Its IUPAC name is 4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc.

Molecular Properties

Compound Name4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc
PubChem CID163474992
Molecular FormulaC36H35BrF9N9O2Zn
Molecular Weight942.01 g/mol
Exact Mass939.12
IUPAC Name4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc
SMILESCc1cnccc1Br.Cc1cnccc1C(O)c1ccn(CC(F)(F)F)n1.Cc1cnccc1Cc1ccn(CC(F)(F)F)n1.O=Cc1ccn(CC(F)(F)F)n1.[Zn]
InChIInChI=1S/C12H12F3N3O.C12H12F3N3.C6H6BrN.C6H5F3N2O.Zn/c1-8-6-16-4-2-9(8)11(19)10-3-5-18(17-10)7-12(13,14)15;1-9-7-16-4-2-10(9)6-11-3-5-18(17-11)8-12(13,14)15;1-5-4-8-3-2-6(5)7;7-6(8,9)4-11-2-1-5(3-12)10-11;/h2-6,11,19H,7H2,1H3;2-5,7H,6,8H2,1H3;2-4H,1H3;1-3H,4H2;
InChIKeyBZRWCMVWPPGHQG-UHFFFAOYSA-N
XLogP8.38
TPSA129.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500942.01
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc with MolForge

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Related Compounds

Magnesium;ethane;pyridin-4-yl-[3-(2,2,2-trifluoroethyl)pyrazol-1-yl]methanone;1-pyridin-4-yl-1-[3-(2,2,2-trifluoroethyl)pyrazol-1-yl]propan-1-ol;4-[1-[3-(2,2,2-trifluoroethyl)pyrazol-1-yl]propyl]pyridine;ZINC;bromide
CID 163420849
5-methyl-1H-pyrazole-3-carbaldehyde;5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-pyridin-4-ylmethanol
CID 163550659
Magnesium;dioxomanganese;ethane;4-methylpyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;bromide
CID 163612014
4-[1-[4-Fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol;methane;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;ZINC
CID 163867437
4-Iodopyridine;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;ZINC
CID 163885219
Lithium;pyridin-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;trideuteriomethane;2,2,2-trideuterio-1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;ZINC
CID 163976805
magnesium;carbanide;dioxomanganese;3-fluoro-4-iodopyridine;1-(3-fluoro-4-pyridinyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;(3-fluoro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;(3-fluoro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;3-fluoro-4-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;3-fluoro-4-[(1S)-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;3-fluoro-4-[1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc;bromide
CID 164026130
4-Iodopyridine;1-pyridin-4-yl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol;1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone
CID 164101667

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc?
The IUPAC name of 4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc (CID 163474992) is 4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc.
What is the SMILES notation for 4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc?
The canonical SMILES for 4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc is Cc1cnccc1Br.Cc1cnccc1C(O)c1ccn(CC(F)(F)F)n1.Cc1cnccc1Cc1ccn(CC(F)(F)F)n1.O=Cc1ccn(CC(F)(F)F)n1.[Zn].
What is the InChIKey of 4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc?
The InChIKey is BZRWCMVWPPGHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O.C12H12F3N3.C6H6BrN.C6H5F3N2O.Zn/c1-8-6-16-4-2-9(8)11(19)10-3-5-18(17-10)7-12(13,14)15;1-9-7-16-4-2-10(9)6-11-3-5-18(17-11)8-12(13,14)15;1-5-4-8-3-2-6(5)7;7-6(8,9)4-11-2-1-5(3-12)10-11;/h2-6,11,19H,7H2,1H3;2-5,7H,6,8H2,1H3;2-4H,1H3;1-3H,4H2;.
What are the key properties of 4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc?
4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc has a molecular weight of 942.01 g/mol, XLogP of 8.38, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methylpyridine;(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol;3-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyridine;1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde;zinc is sourced from PubChem (CID 163474992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).