3-bromo-4-ethoxy-1,5-naphthyridine

C10H9BrN2O — CID 171976085

IUPAC3-bromo-4-ethoxy-1,5-naphthyridine
SMILESCCOc1c(Br)cnc2cccnc12
InChIInChI=1S/C10H9BrN2O/c1-2-14-10-7(11)6-13-8-4-3-5-12-9(8)10/h3-6H,2H2,1H3
InChIKeyLYTUVPXUVXBTJX-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.79
Rot. Bonds2

About 3-bromo-4-ethoxy-1,5-naphthyridine

3-bromo-4-ethoxy-1,5-naphthyridine (PubChem CID 171976085) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-4-ethoxy-1,5-naphthyridine
PubChem CID171976085
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name3-bromo-4-ethoxy-1,5-naphthyridine
SMILESCCOc1c(Br)cnc2cccnc12
InChIInChI=1S/C10H9BrN2O/c1-2-14-10-7(11)6-13-8-4-3-5-12-9(8)10/h3-6H,2H2,1H3
InChIKeyLYTUVPXUVXBTJX-UHFFFAOYSA-N
XLogP2.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-8-ethoxyquinoline
CID 100612531
7-bromo-8-propoxyquinoline
CID 100612692
pyrido[2,3-c][1,5]naphthyridine
CID 44631737
5-bromo-6-ethoxyquinoline
CID 4197454
7,9-dibromothieno[3,4-c][1,5]naphthyridine
CID 819144
4-bromo-1-ethoxyisoquinoline
CID 614075
5-diethoxyphosphorylquinoxaline
CID 57308706
ethane;1,5-naphthyridine;propane
CID 142434189
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
5,7-dibromo-8-methoxyquinoline
CID 10805403
6,21-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaene
CID 129303441
5-bromoquinoline;ethane
CID 142484600

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-1,5-naphthyridine?
The IUPAC name of 3-bromo-4-ethoxy-1,5-naphthyridine (CID 171976085) is 3-bromo-4-ethoxy-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-4-ethoxy-1,5-naphthyridine?
The canonical SMILES for 3-bromo-4-ethoxy-1,5-naphthyridine is CCOc1c(Br)cnc2cccnc12.
What is the InChIKey of 3-bromo-4-ethoxy-1,5-naphthyridine?
The InChIKey is LYTUVPXUVXBTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-2-14-10-7(11)6-13-8-4-3-5-12-9(8)10/h3-6H,2H2,1H3.
What are the key properties of 3-bromo-4-ethoxy-1,5-naphthyridine?
3-bromo-4-ethoxy-1,5-naphthyridine has a molecular weight of 253.10 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-1,5-naphthyridine is sourced from PubChem (CID 171976085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).