2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile

C15H8ClN3O — CID 175946446

IUPAC2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile
SMILESN#Cc1cncc2nc(Oc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C15H8ClN3O/c16-11-1-3-12(4-2-11)20-15-6-5-13-10(7-17)8-18-9-14(13)19-15/h1-6,8-9H
InChIKeyIMYFDKYABQQRJQ-UHFFFAOYSA-N
MW281.70 g/mol
LogP3.95
Rot. Bonds2

About 2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile

2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile (PubChem CID 175946446) has the molecular formula C15H8ClN3O and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile
PubChem CID175946446
Molecular FormulaC15H8ClN3O
Molecular Weight281.70 g/mol
Exact Mass281.04
IUPAC Name2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile
SMILESN#Cc1cncc2nc(Oc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C15H8ClN3O/c16-11-1-3-12(4-2-11)20-15-6-5-13-10(7-17)8-18-9-14(13)19-15/h1-6,8-9H
InChIKeyIMYFDKYABQQRJQ-UHFFFAOYSA-N
XLogP3.95
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile?
The IUPAC name of 2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile (CID 175946446) is 2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile?
The canonical SMILES for 2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile is N#Cc1cncc2nc(Oc3ccc(Cl)cc3)ccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile?
The InChIKey is IMYFDKYABQQRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O/c16-11-1-3-12(4-2-11)20-15-6-5-13-10(7-17)8-18-9-14(13)19-15/h1-6,8-9H.
What are the key properties of 2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile?
2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile has a molecular weight of 281.70 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1,7-naphthyridine-5-carbonitrile is sourced from PubChem (CID 175946446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).