4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine

C23H23F2N — CID 10831764

IUPAC4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine
SMILESCc1cnccc1C(CCc1ccc(F)cc1)CCc1ccc(F)cc1
InChIInChI=1S/C23H23F2N/c1-17-16-26-15-14-23(17)20(8-2-18-4-10-21(24)11-5-18)9-3-19-6-12-22(25)13-7-19/h4-7,10-16,20H,2-3,8-9H2,1H3
InChIKeyPUELCTXFVSQZGN-UHFFFAOYSA-N
MW351.44 g/mol
LogP6.02
Rot. Bonds7

About 4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine

4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine (PubChem CID 10831764) has the molecular formula C23H23F2N and a molecular weight of 351.44 g/mol. Its IUPAC name is 4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine.

Molecular Properties

Compound Name4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine
PubChem CID10831764
Molecular FormulaC23H23F2N
Molecular Weight351.44 g/mol
Exact Mass351.18
IUPAC Name4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine
SMILESCc1cnccc1C(CCc1ccc(F)cc1)CCc1ccc(F)cc1
InChIInChI=1S/C23H23F2N/c1-17-16-26-15-14-23(17)20(8-2-18-4-10-21(24)11-5-18)9-3-19-6-12-22(25)13-7-19/h4-7,10-16,20H,2-3,8-9H2,1H3
InChIKeyPUELCTXFVSQZGN-UHFFFAOYSA-N
XLogP6.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.44
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine
CID 14883798
3-methyl-4-pentan-2-ylpyridine
CID 143325066
3-(4-fluorophenyl)-1-pyridin-3-ylpropan-1-ol
CID 19775361
[(2R)-4-(4-fluorophenyl)butan-2-yl]azanium
CID 7449312
2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 82919760
4-butan-2-yl-3-methylpyridine
CID 66641815
5-[2,4-bis(4-fluorophenyl)butyl]-1H-imidazole
CID 10757477
1-fluoro-4-(3-iodobutyl)benzene
CID 162353142
N-methyl-1-(4-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105164185
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine
CID 105182059
[(4-fluoro-2-methylphenyl)-(3-methyl-4-pyridinyl)methyl]hydrazine
CID 105261808

Frequently Asked Questions

What is the IUPAC name of 4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine?
The IUPAC name of 4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine (CID 10831764) is 4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine.
What is the SMILES notation for 4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine?
The canonical SMILES for 4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine is Cc1cnccc1C(CCc1ccc(F)cc1)CCc1ccc(F)cc1.
What is the InChIKey of 4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine?
The InChIKey is PUELCTXFVSQZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N/c1-17-16-26-15-14-23(17)20(8-2-18-4-10-21(24)11-5-18)9-3-19-6-12-22(25)13-7-19/h4-7,10-16,20H,2-3,8-9H2,1H3.
What are the key properties of 4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine?
4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine has a molecular weight of 351.44 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine is sourced from PubChem (CID 10831764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).