2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine

C21H23F2NO2 — CID 19094914

IUPAC2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine
SMILESFc1ccc(-c2ccc(C3CCC(C4OCCCO4)CC3)cn2)cc1F
InChIInChI=1S/C21H23F2NO2/c22-18-8-6-16(12-19(18)23)20-9-7-17(13-24-20)14-2-4-15(5-3-14)21-25-10-1-11-26-21/h6-9,12-15,21H,1-5,10-11H2
InChIKeyOYRQOAJLMMOEHE-UHFFFAOYSA-N
MW359.42 g/mol
LogP5.06
Rot. Bonds3

About 2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine

2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine (PubChem CID 19094914) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine
PubChem CID19094914
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine
SMILESFc1ccc(-c2ccc(C3CCC(C4OCCCO4)CC3)cn2)cc1F
InChIInChI=1S/C21H23F2NO2/c22-18-8-6-16(12-19(18)23)20-9-7-17(13-24-20)14-2-4-15(5-3-14)21-25-10-1-11-26-21/h6-9,12-15,21H,1-5,10-11H2
InChIKeyOYRQOAJLMMOEHE-UHFFFAOYSA-N
XLogP5.06
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine?
The IUPAC name of 2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine (CID 19094914) is 2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine is Fc1ccc(-c2ccc(C3CCC(C4OCCCO4)CC3)cn2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine?
The InChIKey is OYRQOAJLMMOEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO2/c22-18-8-6-16(12-19(18)23)20-9-7-17(13-24-20)14-2-4-15(5-3-14)21-25-10-1-11-26-21/h6-9,12-15,21H,1-5,10-11H2.
What are the key properties of 2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine?
2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine has a molecular weight of 359.42 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-[4-(1,3-dioxan-2-yl)cyclohexyl]pyridine is sourced from PubChem (CID 19094914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).