2-(bromomethyl)-1,7-phenanthroline

C13H9BrN2 — CID 67733291

IUPAC2-(bromomethyl)-1,7-phenanthroline
SMILESBrCc1ccc2ccc3ncccc3c2n1
InChIInChI=1S/C13H9BrN2/c14-8-10-5-3-9-4-6-12-11(13(9)16-10)2-1-7-15-12/h1-7H,8H2
InChIKeySYAGFBYYQYBSKL-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.68
Rot. Bonds1

About 2-(bromomethyl)-1,7-phenanthroline

2-(bromomethyl)-1,7-phenanthroline (PubChem CID 67733291) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(bromomethyl)-1,7-phenanthroline.

Molecular Properties

Compound Name2-(bromomethyl)-1,7-phenanthroline
PubChem CID67733291
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name2-(bromomethyl)-1,7-phenanthroline
SMILESBrCc1ccc2ccc3ncccc3c2n1
InChIInChI=1S/C13H9BrN2/c14-8-10-5-3-9-4-6-12-11(13(9)16-10)2-1-7-15-12/h1-7H,8H2
InChIKeySYAGFBYYQYBSKL-UHFFFAOYSA-N
XLogP3.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,7-phenanthroline;dihydrochloride
CID 174688507
1,7-phenanthroline;vanadium
CID 174318955
methanol;1,7-phenanthroline
CID 174496893
2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline
CID 134243207
pyrido[2,3-i][1,2]benzodiazepin-3-one
CID 67724117
1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)
CID 175508465
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
iron;2H-1,7-phenanthrolin-2-ide
CID 175242375
benzo[f]quinoline;iodomethane
CID 21121996
nitric acid;1,7-phenanthroline
CID 175111698
3-methyl-1,7-phenanthrolin-2-amine
CID 63231728
benzo[b][1,7]phenanthrolin-10-amine
CID 10332108

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,7-phenanthroline?
The IUPAC name of 2-(bromomethyl)-1,7-phenanthroline (CID 67733291) is 2-(bromomethyl)-1,7-phenanthroline.
What is the SMILES notation for 2-(bromomethyl)-1,7-phenanthroline?
The canonical SMILES for 2-(bromomethyl)-1,7-phenanthroline is BrCc1ccc2ccc3ncccc3c2n1.
What is the InChIKey of 2-(bromomethyl)-1,7-phenanthroline?
The InChIKey is SYAGFBYYQYBSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-8-10-5-3-9-4-6-12-11(13(9)16-10)2-1-7-15-12/h1-7H,8H2.
What are the key properties of 2-(bromomethyl)-1,7-phenanthroline?
2-(bromomethyl)-1,7-phenanthroline has a molecular weight of 273.13 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,7-phenanthroline is sourced from PubChem (CID 67733291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).