3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine

C23H22F2N2 — CID 143128965

IUPAC3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
SMILESCC(c1ccc(-c2cc(F)c(-c3cccnc3)c(F)c2)cc1)N1CCCC1
InChIInChI=1S/C23H22F2N2/c1-16(27-11-2-3-12-27)17-6-8-18(9-7-17)20-13-21(24)23(22(25)14-20)19-5-4-10-26-15-19/h4-10,13-16H,2-3,11-12H2,1H3
InChIKeyNMSNTQDISHJZHH-UHFFFAOYSA-N
MW364.44 g/mol
LogP5.85
Rot. Bonds4

About 3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine

3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine (PubChem CID 143128965) has the molecular formula C23H22F2N2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
PubChem CID143128965
Molecular FormulaC23H22F2N2
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
SMILESCC(c1ccc(-c2cc(F)c(-c3cccnc3)c(F)c2)cc1)N1CCCC1
InChIInChI=1S/C23H22F2N2/c1-16(27-11-2-3-12-27)17-6-8-18(9-7-17)20-13-21(24)23(22(25)14-20)19-5-4-10-26-15-19/h4-10,13-16H,2-3,11-12H2,1H3
InChIKeyNMSNTQDISHJZHH-UHFFFAOYSA-N
XLogP5.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine?
The IUPAC name of 3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine (CID 143128965) is 3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine?
The canonical SMILES for 3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine is CC(c1ccc(-c2cc(F)c(-c3cccnc3)c(F)c2)cc1)N1CCCC1.
What is the InChIKey of 3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine?
The InChIKey is NMSNTQDISHJZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2/c1-16(27-11-2-3-12-27)17-6-8-18(9-7-17)20-13-21(24)23(22(25)14-20)19-5-4-10-26-15-19/h4-10,13-16H,2-3,11-12H2,1H3.
What are the key properties of 3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine?
3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine has a molecular weight of 364.44 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-difluoro-4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 143128965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).