3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile

C18H15ClN4O — CID 122137665

IUPAC3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(OC2CCN(c3ccc(Cl)c(C#N)n3)CC2)c1
InChIInChI=1S/C18H15ClN4O/c19-16-4-5-18(22-17(16)12-21)23-8-6-14(7-9-23)24-15-3-1-2-13(10-15)11-20/h1-5,10,14H,6-9H2
InChIKeyMIIVDWPEHHAWED-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.53
Rot. Bonds3

About 3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile

3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 122137665) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID122137665
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(OC2CCN(c3ccc(Cl)c(C#N)n3)CC2)c1
InChIInChI=1S/C18H15ClN4O/c19-16-4-5-18(22-17(16)12-21)23-8-6-14(7-9-23)24-15-3-1-2-13(10-15)11-20/h1-5,10,14H,6-9H2
InChIKeyMIIVDWPEHHAWED-UHFFFAOYSA-N
XLogP3.53
TPSA72.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile (CID 122137665) is 3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(OC2CCN(c3ccc(Cl)c(C#N)n3)CC2)c1.
What is the InChIKey of 3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is MIIVDWPEHHAWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-16-4-5-18(22-17(16)12-21)23-8-6-14(7-9-23)24-15-3-1-2-13(10-15)11-20/h1-5,10,14H,6-9H2.
What are the key properties of 3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile?
3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 338.80 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(3-cyanophenoxy)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 122137665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).