3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole

C16H10ClFN2 — CID 171776038

IUPAC3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(-c3c[nH]c4ccc(Cl)cc34)c2c1
InChIInChI=1S/C16H10ClFN2/c17-9-1-3-15-11(5-9)13(7-19-15)14-8-20-16-4-2-10(18)6-12(14)16/h1-8,19-20H
InChIKeyKMHTURBGSBVYAQ-UHFFFAOYSA-N
MW284.72 g/mol
LogP5.11
Rot. Bonds1

About 3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole

3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole (PubChem CID 171776038) has the molecular formula C16H10ClFN2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
PubChem CID171776038
Molecular FormulaC16H10ClFN2
Molecular Weight284.72 g/mol
Exact Mass284.05
IUPAC Name3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(-c3c[nH]c4ccc(Cl)cc34)c2c1
InChIInChI=1S/C16H10ClFN2/c17-9-1-3-15-11(5-9)13(7-19-15)14-8-20-16-4-2-10(18)6-12(14)16/h1-8,19-20H
InChIKeyKMHTURBGSBVYAQ-UHFFFAOYSA-N
XLogP5.11
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.72
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol
CID 90829094
5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
CID 71101477
3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole
CID 171351147
3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 139526052
5-chloro-N-(2,4-difluorophenyl)-1H-indole-3-carboxamide
CID 113205928
3-chloro-6-fluoro-1H-quinolin-4-one
CID 45118012
5-fluoro-1H-indol-3-ol
CID 90083452
3-(5-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
CID 82385944
5-chloro-3-iodo-1H-indole
CID 2762969
N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205698
5-chloro-3-pyridin-2-yl-1H-indole
CID 70567699
6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
CID 22423715

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole?
The IUPAC name of 3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole (CID 171776038) is 3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole.
What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole?
The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole is Fc1ccc2[nH]cc(-c3c[nH]c4ccc(Cl)cc34)c2c1.
What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole?
The InChIKey is KMHTURBGSBVYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2/c17-9-1-3-15-11(5-9)13(7-19-15)14-8-20-16-4-2-10(18)6-12(14)16/h1-8,19-20H.
What are the key properties of 3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole?
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole has a molecular weight of 284.72 g/mol, XLogP of 5.11, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole is sourced from PubChem (CID 171776038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).