1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine

C14H8ClFN2O — CID 118875058

IUPAC1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine
SMILESFc1ccc(Oc2nccc3ccnc(Cl)c23)cc1
InChIInChI=1S/C14H8ClFN2O/c15-13-12-9(5-7-17-13)6-8-18-14(12)19-11-3-1-10(16)2-4-11/h1-8H
InChIKeyDJATWIGOLDCAAB-UHFFFAOYSA-N
MW274.68 g/mol
LogP4.21
Rot. Bonds2

About 1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine

1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine (PubChem CID 118875058) has the molecular formula C14H8ClFN2O and a molecular weight of 274.68 g/mol. Its IUPAC name is 1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine.

Molecular Properties

Compound Name1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine
PubChem CID118875058
Molecular FormulaC14H8ClFN2O
Molecular Weight274.68 g/mol
Exact Mass274.03
IUPAC Name1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine
SMILESFc1ccc(Oc2nccc3ccnc(Cl)c23)cc1
InChIInChI=1S/C14H8ClFN2O/c15-13-12-9(5-7-17-13)6-8-18-14(12)19-11-3-1-10(16)2-4-11/h1-8H
InChIKeyDJATWIGOLDCAAB-UHFFFAOYSA-N
XLogP4.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine?
The IUPAC name of 1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine (CID 118875058) is 1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine.
What is the SMILES notation for 1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine?
The canonical SMILES for 1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine is Fc1ccc(Oc2nccc3ccnc(Cl)c23)cc1.
What is the InChIKey of 1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine?
The InChIKey is DJATWIGOLDCAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O/c15-13-12-9(5-7-17-13)6-8-18-14(12)19-11-3-1-10(16)2-4-11/h1-8H.
What are the key properties of 1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine?
1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine has a molecular weight of 274.68 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine is sourced from PubChem (CID 118875058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).