2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid

C11H9BrN2O2 — CID 104571211

IUPAC2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid
SMILESCC(C(=O)O)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C11H9BrN2O2/c1-6(11(15)16)8-2-3-13-9-4-7(12)5-14-10(8)9/h2-6H,1H3,(H,15,16)
InChIKeyCJMQPPMTOGZXHH-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.58
Rot. Bonds2

About 2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid

2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid (PubChem CID 104571211) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid
PubChem CID104571211
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid
SMILESCC(C(=O)O)c1ccnc2cc(Br)cnc12
InChIInChI=1S/C11H9BrN2O2/c1-6(11(15)16)8-2-3-13-9-4-7(12)5-14-10(8)9/h2-6H,1H3,(H,15,16)
InChIKeyCJMQPPMTOGZXHH-UHFFFAOYSA-N
XLogP2.58
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid?
The IUPAC name of 2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid (CID 104571211) is 2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid.
What is the SMILES notation for 2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid?
The canonical SMILES for 2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid is CC(C(=O)O)c1ccnc2cc(Br)cnc12.
What is the InChIKey of 2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid?
The InChIKey is CJMQPPMTOGZXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-6(11(15)16)8-2-3-13-9-4-7(12)5-14-10(8)9/h2-6H,1H3,(H,15,16).
What are the key properties of 2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid?
2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid has a molecular weight of 281.11 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1,5-naphthyridin-4-yl)propanoic acid is sourced from PubChem (CID 104571211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).