2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine

C14H13FN2O — CID 122460375

IUPAC2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESFc1ccc(Oc2ccc3c(n2)CCNC3)cc1
InChIInChI=1S/C14H13FN2O/c15-11-2-4-12(5-3-11)18-14-6-1-10-9-16-8-7-13(10)17-14/h1-6,16H,7-9H2
InChIKeyKCNIBVROZSXQOC-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.66
Rot. Bonds2

About 2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine

2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 122460375) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID122460375
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESFc1ccc(Oc2ccc3c(n2)CCNC3)cc1
InChIInChI=1S/C14H13FN2O/c15-11-2-4-12(5-3-11)18-14-6-1-10-9-16-8-7-13(10)17-14/h1-6,16H,7-9H2
InChIKeyKCNIBVROZSXQOC-UHFFFAOYSA-N
XLogP2.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 122460375) is 2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine is Fc1ccc(Oc2ccc3c(n2)CCNC3)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is KCNIBVROZSXQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-11-2-4-12(5-3-11)18-14-6-1-10-9-16-8-7-13(10)17-14/h1-6,16H,7-9H2.
What are the key properties of 2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine?
2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 244.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 122460375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).