3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine

C15H15FN2O — CID 173382890

IUPAC3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESFc1cccc(OCc2cnc3c(c2)CNCC3)c1
InChIInChI=1S/C15H15FN2O/c16-13-2-1-3-14(7-13)19-10-11-6-12-9-17-5-4-15(12)18-8-11/h1-3,6-8,17H,4-5,9-10H2
InChIKeyWVFNVBQIGHWWER-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.45
Rot. Bonds3

About 3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine

3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 173382890) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID173382890
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESFc1cccc(OCc2cnc3c(c2)CNCC3)c1
InChIInChI=1S/C15H15FN2O/c16-13-2-1-3-14(7-13)19-10-11-6-12-9-17-5-4-15(12)18-8-11/h1-3,6-8,17H,4-5,9-10H2
InChIKeyWVFNVBQIGHWWER-UHFFFAOYSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole
CID 130899394
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
5-[(3-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride
CID 172704463
3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol
CID 59027955
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-[1,3]oxazolo[5,4-c]pyridin-4-one
CID 71731018
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 89389298
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
4-[(3-fluorophenoxy)methyl]benzene-1,2-diol
CID 117220383
6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104179

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 173382890) is 3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine is Fc1cccc(OCc2cnc3c(c2)CNCC3)c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is WVFNVBQIGHWWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-13-2-1-3-14(7-13)19-10-11-6-12-9-17-5-4-15(12)18-8-11/h1-3,6-8,17H,4-5,9-10H2.
What are the key properties of 3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine?
3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 258.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 173382890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).