1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline

C17H10BrClN2 — CID 71674113

IUPAC1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline
SMILESClc1cc(Br)c2c3ccccc3nn(-c3ccccc3)c1-2
InChIInChI=1S/C17H10BrClN2/c18-13-10-14(19)17-16(13)12-8-4-5-9-15(12)20-21(17)11-6-2-1-3-7-11/h1-10H
InChIKeyWZOVMXPLNHEFCH-UHFFFAOYSA-N
MW357.64 g/mol
LogP5.55
Rot. Bonds1

About 1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline

1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline (PubChem CID 71674113) has the molecular formula C17H10BrClN2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline.

Molecular Properties

Compound Name1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline
PubChem CID71674113
Molecular FormulaC17H10BrClN2
Molecular Weight357.64 g/mol
Exact Mass355.97
IUPAC Name1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline
SMILESClc1cc(Br)c2c3ccccc3nn(-c3ccccc3)c1-2
InChIInChI=1S/C17H10BrClN2/c18-13-10-14(19)17-16(13)12-8-4-5-9-15(12)20-21(17)11-6-2-1-3-7-11/h1-10H
InChIKeyWZOVMXPLNHEFCH-UHFFFAOYSA-N
XLogP5.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.64
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-2-phenylindazole
CID 21044962
4-phenylcyclopenta[c]cinnoline
CID 12572463
2-bromo-4-chloro-1-phenylnaphthalene
CID 167008767
(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
CID 71481537
3-benzyl-2-phenylindazole
CID 25217782
3-(4-chlorophenyl)-2-(4-methylphenyl)indazole
CID 102171716
3-chloro-2-pyridin-3-ylindazole
CID 134094821
3-(2,2-dimethylpropyl)-2-phenylindazole
CID 25217909
2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol
CID 71674212
2-(3-ethylphenyl)-3-phenylindazole
CID 169225849
3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine
CID 107988579
5-methyl-2-(4-methylphenyl)-3-phenylindazole
CID 177414447

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline?
The IUPAC name of 1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline (CID 71674113) is 1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline.
What is the SMILES notation for 1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline?
The canonical SMILES for 1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline is Clc1cc(Br)c2c3ccccc3nn(-c3ccccc3)c1-2.
What is the InChIKey of 1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline?
The InChIKey is WZOVMXPLNHEFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClN2/c18-13-10-14(19)17-16(13)12-8-4-5-9-15(12)20-21(17)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline?
1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline has a molecular weight of 357.64 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline is sourced from PubChem (CID 71674113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).