1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole

C13H6F4N2 — CID 14245429

IUPAC1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole
SMILESFc1nc(F)c(F)c(-n2ccc3ccccc32)c1F
InChIInChI=1S/C13H6F4N2/c14-9-11(10(15)13(17)18-12(9)16)19-6-5-7-3-1-2-4-8(7)19/h1-6H
InChIKeySACLRBDYSSCRSB-UHFFFAOYSA-N
MW266.20 g/mol
LogP3.58
Rot. Bonds1

About 1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole

1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole (PubChem CID 14245429) has the molecular formula C13H6F4N2 and a molecular weight of 266.20 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole
PubChem CID14245429
Molecular FormulaC13H6F4N2
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole
SMILESFc1nc(F)c(F)c(-n2ccc3ccccc32)c1F
InChIInChI=1S/C13H6F4N2/c14-9-11(10(15)13(17)18-12(9)16)19-6-5-7-3-1-2-4-8(7)19/h1-6H
InChIKeySACLRBDYSSCRSB-UHFFFAOYSA-N
XLogP3.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2,3,5,6-tetrafluoro-4-(2,3,4,5-tetrafluorophenyl)phenyl]indole
CID 174458324
1-(2,3,4,5-tetrafluorophenyl)indole
CID 22638233
1-(2-chloro-4-fluorophenyl)indole
CID 139914970
1-(1H-pyrazol-5-yl)indole
CID 23117277
1-(4-chloro-3-fluorophenyl)indole
CID 91422915
1-(1H-1,2,4-triazol-5-yl)indole
CID 167408371
1-[4-(chloromethyl)phenyl]indole
CID 13021305
chlororuthenium(2+);5,12,18,25,31,38,44,51-octa(indol-1-yl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene
CID 58838826
1-pyrazin-2-ylindole
CID 58898193
1-(4-bromo-1H-pyrazol-5-yl)indole
CID 18401365
4-indol-1-ylisoquinoline
CID 68997324
1-(furan-2-yl)indole
CID 70543237

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole?
The IUPAC name of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole (CID 14245429) is 1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole.
What is the SMILES notation for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole?
The canonical SMILES for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole is Fc1nc(F)c(F)c(-n2ccc3ccccc32)c1F.
What is the InChIKey of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole?
The InChIKey is SACLRBDYSSCRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N2/c14-9-11(10(15)13(17)18-12(9)16)19-6-5-7-3-1-2-4-8(7)19/h1-6H.
What are the key properties of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole?
1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole has a molecular weight of 266.20 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)indole is sourced from PubChem (CID 14245429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).