6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile

C22H18FN3O2 — CID 42624928

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCOCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C22H18FN3O2/c23-17-3-7-21(8-4-17)28-20-5-1-16(2-6-20)22-14-19(13-18(15-24)25-22)26-9-11-27-12-10-26/h1-8,13-14H,9-12H2
InChIKeySFQGRNGEOWESBF-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.39
Rot. Bonds4

About 6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile

6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile (PubChem CID 42624928) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile
PubChem CID42624928
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCOCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C22H18FN3O2/c23-17-3-7-21(8-4-17)28-20-5-1-16(2-6-20)22-14-19(13-18(15-24)25-22)26-9-11-27-12-10-26/h1-8,13-14H,9-12H2
InChIKeySFQGRNGEOWESBF-UHFFFAOYSA-N
XLogP4.39
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777738
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
6-{4-[3-(4-Methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile
CID 46238539
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
2-[4-(4-Fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine
CID 10179509
6-[4-(4-Fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 10340527
2-Methyl-4-dimethylamino-6-[4-(4-fluorophenoxy)phenyl]pyridine
CID 11359162
2,4-Bis-(4-ethoxy-phenyl)-6-methyl-1-(2-morpholin-4-yl-ethyl)-pyridinium
CID 16682554
4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777743
4-[3-[4-[(S)-(3-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]benzonitrile
CID 71777745
4-(4-Fluorophenyl)-2-(2-methoxyethoxy)-6-phenylpyridine-3-carbonitrile
CID 154644716
6-[4-(Hexyloxy)phenyl]pyridine-3-carbonitrile
CID 3129237

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile (CID 42624928) is 6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile is N#Cc1cc(N2CCOCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile?
The InChIKey is SFQGRNGEOWESBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-17-3-7-21(8-4-17)28-20-5-1-16(2-6-20)22-14-19(13-18(15-24)25-22)26-9-11-27-12-10-26/h1-8,13-14H,9-12H2.
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile?
6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile has a molecular weight of 375.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-morpholin-4-ylpyridine-2-carbonitrile is sourced from PubChem (CID 42624928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).