tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate

C14H17BrN2O2 — CID 137480883

IUPACtert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate
SMILESC=C1CCN(C(=O)OC(C)(C)C)c2ncc(Br)cc21
InChIInChI=1S/C14H17BrN2O2/c1-9-5-6-17(13(18)19-14(2,3)4)12-11(9)7-10(15)8-16-12/h7-8H,1,5-6H2,2-4H3
InChIKeyQGZZPJHOCFEQOA-UHFFFAOYSA-N
MW325.21 g/mol
LogP4.00
Rot. Bonds

About tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate

tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate (PubChem CID 137480883) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate
PubChem CID137480883
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Nametert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate
SMILESC=C1CCN(C(=O)OC(C)(C)C)c2ncc(Br)cc21
InChIInChI=1S/C14H17BrN2O2/c1-9-5-6-17(13(18)19-14(2,3)4)12-11(9)7-10(15)8-16-12/h7-8H,1,5-6H2,2-4H3
InChIKeyQGZZPJHOCFEQOA-UHFFFAOYSA-N
XLogP4.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate (CID 137480883) is tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate is C=C1CCN(C(=O)OC(C)(C)C)c2ncc(Br)cc21.
What is the InChIKey of tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate?
The InChIKey is QGZZPJHOCFEQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9-5-6-17(13(18)19-14(2,3)4)12-11(9)7-10(15)8-16-12/h7-8H,1,5-6H2,2-4H3.
What are the key properties of tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate?
tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate has a molecular weight of 325.21 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-bromo-4-methylidene-2,3-dihydro-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 137480883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).