2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine

C20H23F2N — CID 140585208

IUPAC2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine
SMILESCC1(C(C)(C)c2ccnc(-c3ccc(F)cc3F)c2)CCCC1
InChIInChI=1S/C20H23F2N/c1-19(2,20(3)9-4-5-10-20)14-8-11-23-18(12-14)16-7-6-15(21)13-17(16)22/h6-8,11-13H,4-5,9-10H2,1-3H3
InChIKeyWOBCGWKXUMFYJA-UHFFFAOYSA-N
MW315.41 g/mol
LogP5.88
Rot. Bonds3

About 2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine

2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine (PubChem CID 140585208) has the molecular formula C20H23F2N and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine
PubChem CID140585208
Molecular FormulaC20H23F2N
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine
SMILESCC1(C(C)(C)c2ccnc(-c3ccc(F)cc3F)c2)CCCC1
InChIInChI=1S/C20H23F2N/c1-19(2,20(3)9-4-5-10-20)14-8-11-23-18(12-14)16-7-6-15(21)13-17(16)22/h6-8,11-13H,4-5,9-10H2,1-3H3
InChIKeyWOBCGWKXUMFYJA-UHFFFAOYSA-N
XLogP5.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.41
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine (CID 140585208) is 2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine is CC1(C(C)(C)c2ccnc(-c3ccc(F)cc3F)c2)CCCC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine?
The InChIKey is WOBCGWKXUMFYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N/c1-19(2,20(3)9-4-5-10-20)14-8-11-23-18(12-14)16-7-6-15(21)13-17(16)22/h6-8,11-13H,4-5,9-10H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine?
2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine has a molecular weight of 315.41 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-[2-(1-methylcyclopentyl)propan-2-yl]pyridine is sourced from PubChem (CID 140585208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).