2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine

C20H21ClFN — CID 15135238

IUPAC2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine
SMILESCCCC1CC=C(c2ccc(-c3ccc(Cl)c(F)c3)nc2)CC1
InChIInChI=1S/C20H21ClFN/c1-2-3-14-4-6-15(7-5-14)17-9-11-20(23-13-17)16-8-10-18(21)19(22)12-16/h6,8-14H,2-5,7H2,1H3
InChIKeyOUXQYCRCTVDOQP-UHFFFAOYSA-N
MW329.85 g/mol
LogP6.52
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine

2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine (PubChem CID 15135238) has the molecular formula C20H21ClFN and a molecular weight of 329.85 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine
PubChem CID15135238
Molecular FormulaC20H21ClFN
Molecular Weight329.85 g/mol
Exact Mass329.13
IUPAC Name2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine
SMILESCCCC1CC=C(c2ccc(-c3ccc(Cl)c(F)c3)nc2)CC1
InChIInChI=1S/C20H21ClFN/c1-2-3-14-4-6-15(7-5-14)17-9-11-20(23-13-17)16-8-10-18(21)19(22)12-16/h6,8-14H,2-5,7H2,1H3
InChIKeyOUXQYCRCTVDOQP-UHFFFAOYSA-N
XLogP6.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.85
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine (CID 15135238) is 2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine is CCCC1CC=C(c2ccc(-c3ccc(Cl)c(F)c3)nc2)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine?
The InChIKey is OUXQYCRCTVDOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN/c1-2-3-14-4-6-15(7-5-14)17-9-11-20(23-13-17)16-8-10-18(21)19(22)12-16/h6,8-14H,2-5,7H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine?
2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine has a molecular weight of 329.85 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-5-(4-propylcyclohexen-1-yl)pyridine is sourced from PubChem (CID 15135238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).