6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid

C22H24N2O2 — CID 102277539

IUPAC6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc3c(ccn3-c3ccc(C(=O)O)cn3)cc21
InChIInChI=1S/C22H24N2O2/c1-21(2)8-9-22(3,4)17-12-18-14(11-16(17)21)7-10-24(18)19-6-5-15(13-23-19)20(25)26/h5-7,10-13H,8-9H2,1-4H3,(H,25,26)
InChIKeyLMEOIHQPQPXAAD-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.07
Rot. Bonds2

About 6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid

6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid (PubChem CID 102277539) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid
PubChem CID102277539
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc3c(ccn3-c3ccc(C(=O)O)cn3)cc21
InChIInChI=1S/C22H24N2O2/c1-21(2)8-9-22(3,4)17-12-18-14(11-16(17)21)7-10-24(18)19-6-5-15(13-23-19)20(25)26/h5-7,10-13H,8-9H2,1-4H3,(H,25,26)
InChIKeyLMEOIHQPQPXAAD-UHFFFAOYSA-N
XLogP5.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid (CID 102277539) is 6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid is CC1(C)CCC(C)(C)c2cc3c(ccn3-c3ccc(C(=O)O)cn3)cc21.
What is the InChIKey of 6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is LMEOIHQPQPXAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-21(2)8-9-22(3,4)17-12-18-14(11-16(17)21)7-10-24(18)19-6-5-15(13-23-19)20(25)26/h5-7,10-13H,8-9H2,1-4H3,(H,25,26).
What are the key properties of 6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid?
6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 348.45 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 102277539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).