ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate

C11H10BrN3O2 — CID 171645238

IUPACethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cccnc2c(Br)c1N
InChIInChI=1S/C11H10BrN3O2/c1-2-17-11(16)10-8(13)7(12)9-6(15-10)4-3-5-14-9/h3-5H,2,13H2,1H3
InChIKeyXSGWAMJKEVZADY-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.15
Rot. Bonds2

About ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate

ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate (PubChem CID 171645238) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate
PubChem CID171645238
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Nameethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cccnc2c(Br)c1N
InChIInChI=1S/C11H10BrN3O2/c1-2-17-11(16)10-8(13)7(12)9-6(15-10)4-3-5-14-9/h3-5H,2,13H2,1H3
InChIKeyXSGWAMJKEVZADY-UHFFFAOYSA-N
XLogP2.15
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 4-ethylpyrido[3,2-d]pyrimidine-2-carboxylate
CID 155117108
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 3-(6-amino-2-pyridinyl)pyridine-2-carboxylate;hydrochloride
CID 23437677
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 3,8-dimethylquinoxaline-2-carboxylate
CID 67396777
diethyl phenazine-1,6-dicarboxylate
CID 71514835
ethyl 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl 5-bromo-3-ethylquinoline-2-carboxylate
CID 176885613
ethyl 3-bromopyrazine-2-carboxylate
CID 91884522
ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate
CID 116526054

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate (CID 171645238) is ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate is CCOC(=O)c1nc2cccnc2c(Br)c1N.
What is the InChIKey of ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate?
The InChIKey is XSGWAMJKEVZADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-2-17-11(16)10-8(13)7(12)9-6(15-10)4-3-5-14-9/h3-5H,2,13H2,1H3.
What are the key properties of ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate?
ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate has a molecular weight of 296.12 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate is sourced from PubChem (CID 171645238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).