6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine

C15H16ClFN2O2 — CID 166484285

IUPAC6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine
SMILESC=C(OCC)c1cnc(OCC(C)F)c2cnc(Cl)cc12
InChIInChI=1S/C15H16ClFN2O2/c1-4-20-10(3)12-6-19-15(21-8-9(2)17)13-7-18-14(16)5-11(12)13/h5-7,9H,3-4,8H2,1-2H3
InChIKeyXHGVHNNFODTBBS-UHFFFAOYSA-N
MW310.76 g/mol
LogP4.03
Rot. Bonds6

About 6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine

6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine (PubChem CID 166484285) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine.

Molecular Properties

Compound Name6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine
PubChem CID166484285
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine
SMILESC=C(OCC)c1cnc(OCC(C)F)c2cnc(Cl)cc12
InChIInChI=1S/C15H16ClFN2O2/c1-4-20-10(3)12-6-19-15(21-8-9(2)17)13-7-18-14(16)5-11(12)13/h5-7,9H,3-4,8H2,1-2H3
InChIKeyXHGVHNNFODTBBS-UHFFFAOYSA-N
XLogP4.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine?
The IUPAC name of 6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine (CID 166484285) is 6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine.
What is the SMILES notation for 6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine?
The canonical SMILES for 6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine is C=C(OCC)c1cnc(OCC(C)F)c2cnc(Cl)cc12.
What is the InChIKey of 6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine?
The InChIKey is XHGVHNNFODTBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c1-4-20-10(3)12-6-19-15(21-8-9(2)17)13-7-18-14(16)5-11(12)13/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine?
6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine has a molecular weight of 310.76 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine is sourced from PubChem (CID 166484285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).