6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate

C16H8Cl2N2O2-2 — CID 101005801

IUPAC6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate
SMILES[O-]c1c(-c2[nH]c3cc(Cl)ccc3c2[O-])[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H10Cl2N2O2/c17-7-1-3-9-11(5-7)19-13(15(9)21)14-16(22)10-4-2-8(18)6-12(10)20-14/h1-6,19-22H/p-2
InChIKeyQTVGGJZDYCCMJF-UHFFFAOYSA-L
MW331.16 g/mol
LogP3.77
Rot. Bonds1

About 6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate

6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate (PubChem CID 101005801) has the molecular formula C16H8Cl2N2O2-2 and a molecular weight of 331.16 g/mol. Its IUPAC name is 6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate.

Molecular Properties

Compound Name6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate
PubChem CID101005801
Molecular FormulaC16H8Cl2N2O2-2
Molecular Weight331.16 g/mol
Exact Mass330.00
IUPAC Name6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate
SMILES[O-]c1c(-c2[nH]c3cc(Cl)ccc3c2[O-])[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H10Cl2N2O2/c17-7-1-3-9-11(5-7)19-13(15(9)21)14-16(22)10-4-2-8(18)6-12(10)20-14/h1-6,19-22H/p-2
InChIKeyQTVGGJZDYCCMJF-UHFFFAOYSA-L
XLogP3.77
TPSA77.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-3-(1,4-oxathian-4-ium-4-yl)-2-oxo-1H-quinolin-4-olate
CID 139820581
8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135453861
2-bromo-6-chloro-3-methyl-1H-indole
CID 84631725
7-chloro-1,2,3,4-tetradeuterio-9H-carbazole
CID 170651952
7-chloro-9H-pyrido[3,4-b]indole
CID 22185281
3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083
2-bromo-3,7-dichloro-1H-quinolin-4-one
CID 174901251
3-bromo-6-chloro-2-cyclopropyl-1H-indole
CID 82379195
1-(2,6-dichloro-1H-indol-3-yl)ethanol
CID 82269694
7-chloro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 2736610
2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine
CID 84624306
8-chloro-6H-pyrazino[2,3-c]quinolin-5-one
CID 121219727

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate?
The IUPAC name of 6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate (CID 101005801) is 6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate.
What is the SMILES notation for 6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate?
The canonical SMILES for 6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate is [O-]c1c(-c2[nH]c3cc(Cl)ccc3c2[O-])[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate?
The InChIKey is QTVGGJZDYCCMJF-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-7-1-3-9-11(5-7)19-13(15(9)21)14-16(22)10-4-2-8(18)6-12(10)20-14/h1-6,19-22H/p-2.
What are the key properties of 6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate?
6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate has a molecular weight of 331.16 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate is sourced from PubChem (CID 101005801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).