2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine

C31H31ClF2N2 — CID 146640882

IUPAC2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine
SMILESCc1cccc(C(c2ccc(F)cc2)C(C)Cc2cc(C(c3ccc(Cl)cn3)C(C)C)ccc2F)n1
InChIInChI=1S/C31H31ClF2N2/c1-19(2)30(28-15-11-25(32)18-35-28)23-10-14-27(34)24(17-23)16-20(3)31(22-8-12-26(33)13-9-22)29-7-5-6-21(4)36-29/h5-15,17-20,30-31H,16H2,1-4H3
InChIKeyRIFIRSMUTOEUMB-UHFFFAOYSA-N
MW505.05 g/mol
LogP8.52
Rot. Bonds8

About 2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine

2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine (PubChem CID 146640882) has the molecular formula C31H31ClF2N2 and a molecular weight of 505.05 g/mol. Its IUPAC name is 2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine
PubChem CID146640882
Molecular FormulaC31H31ClF2N2
Molecular Weight505.05 g/mol
Exact Mass504.21
IUPAC Name2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine
SMILESCc1cccc(C(c2ccc(F)cc2)C(C)Cc2cc(C(c3ccc(Cl)cn3)C(C)C)ccc2F)n1
InChIInChI=1S/C31H31ClF2N2/c1-19(2)30(28-15-11-25(32)18-35-28)23-10-14-27(34)24(17-23)16-20(3)31(22-8-12-26(33)13-9-22)29-7-5-6-21(4)36-29/h5-15,17-20,30-31H,16H2,1-4H3
InChIKeyRIFIRSMUTOEUMB-UHFFFAOYSA-N
XLogP8.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.05
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine with MolForge

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 103048658
2-[1-(2-fluorophenyl)-2-methylpropyl]-6-methylpyridine
CID 146529331
2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine
CID 146530371
2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 63554372
1-[3,3-bis(4-chlorophenyl)-2-methylpropyl]-3-chloro-5-[1-(3-chlorophenyl)-3-[5-[1-(2-ethylphenyl)-2-methylpropyl]-2-fluorophenyl]-2-methylpropyl]benzene
CID 146641120
1-(5-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373532
[(5-chloro-2-pyridinyl)-(4-fluorophenyl)methyl]hydrazine
CID 105251495
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543738
2-(2-chloro-3-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 112653700
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 103052866
(3-fluorophenyl)-(6-methyl-2-pyridinyl)methanol
CID 63554167

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine?
The IUPAC name of 2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine (CID 146640882) is 2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine.
What is the SMILES notation for 2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine?
The canonical SMILES for 2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine is Cc1cccc(C(c2ccc(F)cc2)C(C)Cc2cc(C(c3ccc(Cl)cn3)C(C)C)ccc2F)n1.
What is the InChIKey of 2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine?
The InChIKey is RIFIRSMUTOEUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClF2N2/c1-19(2)30(28-15-11-25(32)18-35-28)23-10-14-27(34)24(17-23)16-20(3)31(22-8-12-26(33)13-9-22)29-7-5-6-21(4)36-29/h5-15,17-20,30-31H,16H2,1-4H3.
What are the key properties of 2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine?
2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine has a molecular weight of 505.05 g/mol, XLogP of 8.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[1-(5-chloro-2-pyridinyl)-2-methylpropyl]-2-fluorophenyl]-1-(4-fluorophenyl)-2-methylpropyl]-6-methylpyridine is sourced from PubChem (CID 146640882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).