3-(dibromomethyl)benzo[c]cinnoline

C13H8Br2N2 — CID 172651770

IUPAC3-(dibromomethyl)benzo[c]cinnoline
SMILESBrC(Br)c1ccc2c(c1)nnc1ccccc12
InChIInChI=1S/C13H8Br2N2/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-17-12(10)7-8/h1-7,13H
InChIKeyJWAZCZSGOUOFOJ-UHFFFAOYSA-N
MW352.03 g/mol
LogP4.57
Rot. Bonds1

About 3-(dibromomethyl)benzo[c]cinnoline

3-(dibromomethyl)benzo[c]cinnoline (PubChem CID 172651770) has the molecular formula C13H8Br2N2 and a molecular weight of 352.03 g/mol. Its IUPAC name is 3-(dibromomethyl)benzo[c]cinnoline.

Molecular Properties

Compound Name3-(dibromomethyl)benzo[c]cinnoline
PubChem CID172651770
Molecular FormulaC13H8Br2N2
Molecular Weight352.03 g/mol
Exact Mass349.91
IUPAC Name3-(dibromomethyl)benzo[c]cinnoline
SMILESBrC(Br)c1ccc2c(c1)nnc1ccccc12
InChIInChI=1S/C13H8Br2N2/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-17-12(10)7-8/h1-7,13H
InChIKeyJWAZCZSGOUOFOJ-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 54.57
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

methane;3-methylbenzo[c]cinnoline
CID 157102255
benzo[c]cinnoline-3-carbonitrile
CID 169092864
2-(dibromomethyl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 68517786
3-(4-propylphenyl)benzo[c]cinnoline
CID 171776982
benzo[c]cinnoline;cinnoline
CID 70561425
3,4-dichlorocinnoline
CID 14643415
azane;3,4-dimethylcinnoline
CID 174582634
3-cinnolin-3-ylcinnoline
CID 12908797
1-methylbenzo[c]cinnoline
CID 135059712
3,4,5,6,8,9-hexazatricyclo[8.8.0.02,7]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene
CID 68540845
3-iodocinnoline
CID 12908769
3-bromo-1,2,3-benzotriazin-4-one
CID 141391394

Frequently Asked Questions

What is the IUPAC name of 3-(dibromomethyl)benzo[c]cinnoline?
The IUPAC name of 3-(dibromomethyl)benzo[c]cinnoline (CID 172651770) is 3-(dibromomethyl)benzo[c]cinnoline.
What is the SMILES notation for 3-(dibromomethyl)benzo[c]cinnoline?
The canonical SMILES for 3-(dibromomethyl)benzo[c]cinnoline is BrC(Br)c1ccc2c(c1)nnc1ccccc12.
What is the InChIKey of 3-(dibromomethyl)benzo[c]cinnoline?
The InChIKey is JWAZCZSGOUOFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-17-12(10)7-8/h1-7,13H.
What are the key properties of 3-(dibromomethyl)benzo[c]cinnoline?
3-(dibromomethyl)benzo[c]cinnoline has a molecular weight of 352.03 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibromomethyl)benzo[c]cinnoline is sourced from PubChem (CID 172651770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).