6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile

C28H18FN3O — CID 122196332

IUPAC6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H18FN3O/c29-22-10-5-21(6-11-22)28-26(16-13-23(17-30)32-28)19-8-14-25(15-9-19)33-18-24-12-7-20-3-1-2-4-27(20)31-24/h1-16H,18H2
InChIKeyHMUVEXYZONWZDQ-UHFFFAOYSA-N
MW431.47 g/mol
LogP6.55
Rot. Bonds5

About 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile

6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile (PubChem CID 122196332) has the molecular formula C28H18FN3O and a molecular weight of 431.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile
PubChem CID122196332
Molecular FormulaC28H18FN3O
Molecular Weight431.47 g/mol
Exact Mass431.14
IUPAC Name6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C28H18FN3O/c29-22-10-5-21(6-11-22)28-26(16-13-23(17-30)32-28)19-8-14-25(15-9-19)33-18-24-12-7-20-3-1-2-4-27(20)31-24/h1-16H,18H2
InChIKeyHMUVEXYZONWZDQ-UHFFFAOYSA-N
XLogP6.55
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.47
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile (CID 122196332) is 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile is N#Cc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile?
The InChIKey is HMUVEXYZONWZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN3O/c29-22-10-5-21(6-11-22)28-26(16-13-23(17-30)32-28)19-8-14-25(15-9-19)33-18-24-12-7-20-3-1-2-4-27(20)31-24/h1-16H,18H2.
What are the key properties of 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile?
6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile has a molecular weight of 431.47 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 122196332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).