copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine

C15H12CuFN4 — CID 140599607

IUPACcopper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine
SMILESCc1cccc(C(F)c2cccc(-c3ccn[n-]3)n2)n1.[Cu+]
InChIInChI=1S/C15H12FN4.Cu/c1-10-4-2-6-13(18-10)15(16)14-7-3-5-11(19-14)12-8-9-17-20-12;/h2-9,15H,1H3;/q-1;+1
InChIKeyKCDUOLBLHMXSAJ-UHFFFAOYSA-N
MW330.83 g/mol
LogP2.86
Rot. Bonds3

About copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine

copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine (PubChem CID 140599607) has the molecular formula C15H12CuFN4 and a molecular weight of 330.83 g/mol. Its IUPAC name is copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine.

Molecular Properties

Compound Namecopper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine
PubChem CID140599607
Molecular FormulaC15H12CuFN4
Molecular Weight330.83 g/mol
Exact Mass330.03
IUPAC Namecopper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine
SMILESCc1cccc(C(F)c2cccc(-c3ccn[n-]3)n2)n1.[Cu+]
InChIInChI=1S/C15H12FN4.Cu/c1-10-4-2-6-13(18-10)15(16)14-7-3-5-11(19-14)12-8-9-17-20-12;/h2-9,15H,1H3;/q-1;+1
InChIKeyKCDUOLBLHMXSAJ-UHFFFAOYSA-N
XLogP2.86
TPSA52.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 53391873
2-Pyridin-2-ylpyrazolo[1,5-a]pyridine
CID 23469394
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20625479
Iridium;2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807142
Iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807145
2-[2,4-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;iridium
CID 20807176
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807191
2-(2,4-Difluorobenzene-6-id-1-yl)pyrazine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807192
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium
CID 20807199
Iridium;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807254
Iridium;4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807277
2-(4-Fluorobenzene-6-id-1-yl)-4-methylpyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807285

Frequently Asked Questions

What is the IUPAC name of copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine?
The IUPAC name of copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine (CID 140599607) is copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine.
What is the SMILES notation for copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine?
The canonical SMILES for copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine is Cc1cccc(C(F)c2cccc(-c3ccn[n-]3)n2)n1.[Cu+].
What is the InChIKey of copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine?
The InChIKey is KCDUOLBLHMXSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN4.Cu/c1-10-4-2-6-13(18-10)15(16)14-7-3-5-11(19-14)12-8-9-17-20-12;/h2-9,15H,1H3;/q-1;+1.
What are the key properties of copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine?
copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine has a molecular weight of 330.83 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine is sourced from PubChem (CID 140599607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).