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

C15H13Cl2FN2O — CID 176551263

IUPAC3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
SMILESFc1cc(Cl)ccc1COc1nc2c(cc1Cl)CCNC2
InChIInChI=1S/C15H13Cl2FN2O/c16-11-2-1-10(13(18)6-11)8-21-15-12(17)5-9-3-4-19-7-14(9)20-15/h1-2,5-6,19H,3-4,7-8H2
InChIKeyOLVYDFKQKPRQDM-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.75
Rot. Bonds3

About 3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine

3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine (PubChem CID 176551263) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine.

Molecular Properties

Compound Name3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
PubChem CID176551263
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
SMILESFc1cc(Cl)ccc1COc1nc2c(cc1Cl)CCNC2
InChIInChI=1S/C15H13Cl2FN2O/c16-11-2-1-10(13(18)6-11)8-21-15-12(17)5-9-3-4-19-7-14(9)20-15/h1-2,5-6,19H,3-4,7-8H2
InChIKeyOLVYDFKQKPRQDM-UHFFFAOYSA-N
XLogP3.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine?
The IUPAC name of 3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine (CID 176551263) is 3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine.
What is the SMILES notation for 3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine?
The canonical SMILES for 3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine is Fc1cc(Cl)ccc1COc1nc2c(cc1Cl)CCNC2.
What is the InChIKey of 3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine?
The InChIKey is OLVYDFKQKPRQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c16-11-2-1-10(13(18)6-11)8-21-15-12(17)5-9-3-4-19-7-14(9)20-15/h1-2,5-6,19H,3-4,7-8H2.
What are the key properties of 3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine?
3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine has a molecular weight of 327.19 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 176551263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).