difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C13H16F2N2O4 — CID 142796644

IUPACdifluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOC(OC)c1ccc2c(n1)N(C(=O)OC(F)F)CCC2
InChIInChI=1S/C13H16F2N2O4/c1-19-11(20-2)9-6-5-8-4-3-7-17(10(8)16-9)13(18)21-12(14)15/h5-6,11-12H,3-4,7H2,1-2H3
InChIKeyGAOOBHMPDLBSJF-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.48
Rot. Bonds4

About difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 142796644) has the molecular formula C13H16F2N2O4 and a molecular weight of 302.28 g/mol. Its IUPAC name is difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Namedifluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID142796644
Molecular FormulaC13H16F2N2O4
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Namedifluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOC(OC)c1ccc2c(n1)N(C(=O)OC(F)F)CCC2
InChIInChI=1S/C13H16F2N2O4/c1-19-11(20-2)9-6-5-8-4-3-7-17(10(8)16-9)13(18)21-12(14)15/h5-6,11-12H,3-4,7H2,1-2H3
InChIKeyGAOOBHMPDLBSJF-UHFFFAOYSA-N
XLogP2.48
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-(Dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 17750176
tert-butyl 7-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 58230702
7-(dimethoxymethyl)-1-(4-fluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine
CID 59368695
7-(dimethoxymethyl)-1-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1,8-naphthyridine
CID 59368970
1-(3,4-difluorophenyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine
CID 59369324
7-(dimethoxymethyl)-6-(hydroxymethyl)-N-(5-(trifluoromethyl)pyridin-2-yl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036236
6-(1-(2,2-Difluoroethyl)piperidin-4-yl)-7-(dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 118036353
7-(dimethoxymethyl)-6-fluoro-N-(5-(trifluoromethyl)pyridin-2-yl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036589
N-(5-cyano-4-fluoropyridin-2-yl)-7-(dimethoxymethyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036851
N-(5-cyanopyridin-2-yl)-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036858
7-(dimethoxymethyl)-N-(5-(trifluoromethyl)pyridin-2-yl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036914
7-(dimethoxymethyl)-6-methyl-N-(5-(trifluoromethyl)pyridin-2-yl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036992

Frequently Asked Questions

What is the IUPAC name of difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 142796644) is difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is COC(OC)c1ccc2c(n1)N(C(=O)OC(F)F)CCC2.
What is the InChIKey of difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is GAOOBHMPDLBSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O4/c1-19-11(20-2)9-6-5-8-4-3-7-17(10(8)16-9)13(18)21-12(14)15/h5-6,11-12H,3-4,7H2,1-2H3.
What are the key properties of difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 302.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl 7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 142796644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).