ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate

C18H17F3N2O3 — CID 142619982

IUPACethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)CN(c1cc(F)c(F)c(OCF)c1)CC2
InChIInChI=1S/C18H17F3N2O3/c1-2-25-18(24)15-5-11-3-4-23(9-12(11)8-22-15)13-6-14(20)17(21)16(7-13)26-10-19/h5-8H,2-4,9-10H2,1H3
InChIKeyPVIMQUZEPGOLIV-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.40
Rot. Bonds5

About ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate

ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate (PubChem CID 142619982) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
PubChem CID142619982
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Nameethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)CN(c1cc(F)c(F)c(OCF)c1)CC2
InChIInChI=1S/C18H17F3N2O3/c1-2-25-18(24)15-5-11-3-4-23(9-12(11)8-22-15)13-6-14(20)17(21)16(7-13)26-10-19/h5-8H,2-4,9-10H2,1H3
InChIKeyPVIMQUZEPGOLIV-UHFFFAOYSA-N
XLogP3.40
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate (CID 142619982) is ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(cn1)CN(c1cc(F)c(F)c(OCF)c1)CC2.
What is the InChIKey of ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
The InChIKey is PVIMQUZEPGOLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-2-25-18(24)15-5-11-3-4-23(9-12(11)8-22-15)13-6-14(20)17(21)16(7-13)26-10-19/h5-8H,2-4,9-10H2,1H3.
What are the key properties of ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate?
ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate has a molecular weight of 366.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[3,4-difluoro-5-(fluoromethoxy)phenyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 142619982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).