2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine

C16H13BrN2 — CID 67249217

IUPAC2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine
SMILESBrCCc1nc2cccnc2cc1-c1ccccc1
InChIInChI=1S/C16H13BrN2/c17-9-8-14-13(12-5-2-1-3-6-12)11-16-15(19-14)7-4-10-18-16/h1-7,10-11H,8-9H2
InChIKeyWWIDMJYEBNWNOL-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.23
Rot. Bonds3

About 2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine

2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine (PubChem CID 67249217) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine.

Molecular Properties

Compound Name2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine
PubChem CID67249217
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine
SMILESBrCCc1nc2cccnc2cc1-c1ccccc1
InChIInChI=1S/C16H13BrN2/c17-9-8-14-13(12-5-2-1-3-6-12)11-16-15(19-14)7-4-10-18-16/h1-7,10-11H,8-9H2
InChIKeyWWIDMJYEBNWNOL-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine?
The IUPAC name of 2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine (CID 67249217) is 2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine.
What is the SMILES notation for 2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine?
The canonical SMILES for 2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine is BrCCc1nc2cccnc2cc1-c1ccccc1.
What is the InChIKey of 2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine?
The InChIKey is WWIDMJYEBNWNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c17-9-8-14-13(12-5-2-1-3-6-12)11-16-15(19-14)7-4-10-18-16/h1-7,10-11H,8-9H2.
What are the key properties of 2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine?
2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine has a molecular weight of 313.20 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-3-phenyl-1,5-naphthyridine is sourced from PubChem (CID 67249217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).