2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine

C15H14ClFN2O — CID 175910489

IUPAC2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
SMILESFc1cc(Cl)ccc1COc1ccc2c(n1)CNCC2
InChIInChI=1S/C15H14ClFN2O/c16-12-3-1-11(13(17)7-12)9-20-15-4-2-10-5-6-18-8-14(10)19-15/h1-4,7,18H,5-6,8-9H2
InChIKeyIABXYDGXWRLMAB-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.10
Rot. Bonds3

About 2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine

2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine (PubChem CID 175910489) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
PubChem CID175910489
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
SMILESFc1cc(Cl)ccc1COc1ccc2c(n1)CNCC2
InChIInChI=1S/C15H14ClFN2O/c16-12-3-1-11(13(17)7-12)9-20-15-4-2-10-5-6-18-8-14(10)19-15/h1-4,7,18H,5-6,8-9H2
InChIKeyIABXYDGXWRLMAB-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 176551263
2-[(4-chloro-2-fluorophenyl)methoxy]pyrazine
CID 176885300
1-[6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoro-2-pyridinyl]piperazine;hydrochloride
CID 162517374
5-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;trihydrobromide
CID 170764661
2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
CID 157377001
6-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-2H-pyrimidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 141127847
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
2-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 141400148
2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-3,5-difluoropyridine
CID 175941451
4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine
CID 175832455
4-[(6-chloro-2-pyridinyl)oxymethyl]-3-fluorobenzonitrile
CID 134611185
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine (CID 175910489) is 2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine is Fc1cc(Cl)ccc1COc1ccc2c(n1)CNCC2.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine?
The InChIKey is IABXYDGXWRLMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-12-3-1-11(13(17)7-12)9-20-15-4-2-10-5-6-18-8-14(10)19-15/h1-4,7,18H,5-6,8-9H2.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine?
2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine has a molecular weight of 292.74 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 175910489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).