2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile

C14H12ClN3O — CID 9465080

IUPAC2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O/c15-12-3-5-13(6-4-12)19-9-8-18-14-11(10-16)2-1-7-17-14/h1-7H,8-9H2,(H,17,18)
InChIKeyIMPYJKACYGMJID-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.10
Rot. Bonds5

About 2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile

2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile (PubChem CID 9465080) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile
PubChem CID9465080
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O/c15-12-3-5-13(6-4-12)19-9-8-18-14-11(10-16)2-1-7-17-14/h1-7H,8-9H2,(H,17,18)
InChIKeyIMPYJKACYGMJID-UHFFFAOYSA-N
XLogP3.10
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile (CID 9465080) is 2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile?
The InChIKey is IMPYJKACYGMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-12-3-5-13(6-4-12)19-9-8-18-14-11(10-16)2-1-7-17-14/h1-7H,8-9H2,(H,17,18).
What are the key properties of 2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile?
2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 9465080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).