bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride

C28H15Cl5F6N4 — CID 159758564

IUPACbis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride
SMILESCl.FC(F)(F)c1cc2cc(-c3ccncc3Cl)c(Cl)cc2[nH]1.FC(F)(F)c1cc2cc(-c3ccncc3Cl)c(Cl)cc2[nH]1
InChIInChI=1S/2C14H7Cl2F3N2.ClH/c2*15-10-5-12-7(4-13(21-12)14(17,18)19)3-9(10)8-1-2-20-6-11(8)16;/h2*1-6,21H;1H
InChIKeyWQOHSBQLYGOIRG-UHFFFAOYSA-N
MW698.71 g/mol
LogP11.53
Rot. Bonds2

About bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride

bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride (PubChem CID 159758564) has the molecular formula C28H15Cl5F6N4 and a molecular weight of 698.71 g/mol. Its IUPAC name is bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride.

Molecular Properties

Compound Namebis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride
PubChem CID159758564
Molecular FormulaC28H15Cl5F6N4
Molecular Weight698.71 g/mol
Exact Mass695.96
IUPAC Namebis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride
SMILESCl.FC(F)(F)c1cc2cc(-c3ccncc3Cl)c(Cl)cc2[nH]1.FC(F)(F)c1cc2cc(-c3ccncc3Cl)c(Cl)cc2[nH]1
InChIInChI=1S/2C14H7Cl2F3N2.ClH/c2*15-10-5-12-7(4-13(21-12)14(17,18)19)3-9(10)8-1-2-20-6-11(8)16;/h2*1-6,21H;1H
InChIKeyWQOHSBQLYGOIRG-UHFFFAOYSA-N
XLogP11.53
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.71
LogP ≤ 511.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydroquinoline
CID 11617028
5-chloro-6-(5-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11631784
3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 5302583
5-chloro-6-(4-fluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11494167
5-chloro-6-(1H-indol-3-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11551816
5-chloro-6-(4,5-difluoro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11566981
5-chloro-6-(5-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11617684
5-chloro-6-(4-chloro-1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinoline
CID 11682250
4-chloro-3-[(4-chloro-1H-indol-3-yl)methyl]-1H-indole
CID 137632827
15-Chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 4713453
2-Chloro-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]fluorene
CID 14146971
6-chloro-2-[(Z)-4-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)but-2-enyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578489

Frequently Asked Questions

What is the IUPAC name of bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride?
The IUPAC name of bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride (CID 159758564) is bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride.
What is the SMILES notation for bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride?
The canonical SMILES for bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride is Cl.FC(F)(F)c1cc2cc(-c3ccncc3Cl)c(Cl)cc2[nH]1.FC(F)(F)c1cc2cc(-c3ccncc3Cl)c(Cl)cc2[nH]1.
What is the InChIKey of bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride?
The InChIKey is WQOHSBQLYGOIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H7Cl2F3N2.ClH/c2*15-10-5-12-7(4-13(21-12)14(17,18)19)3-9(10)8-1-2-20-6-11(8)16;/h2*1-6,21H;1H.
What are the key properties of bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride?
bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride has a molecular weight of 698.71 g/mol, XLogP of 11.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-chloro-5-(3-chloro-4-pyridinyl)-2-(trifluoromethyl)-1H-indole);hydrochloride is sourced from PubChem (CID 159758564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).