2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol

C13H17NO — CID 167309103

IUPAC2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol
SMILESCC(C)(C)c1ccc2c(n1)C(C)(O)C=C2
InChIInChI=1S/C13H17NO/c1-12(2,3)10-6-5-9-7-8-13(4,15)11(9)14-10/h5-8,15H,1-4H3
InChIKeyBVSIEYFUHCILAA-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.61
Rot. Bonds

About 2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol

2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol (PubChem CID 167309103) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol
PubChem CID167309103
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol
SMILESCC(C)(C)c1ccc2c(n1)C(C)(O)C=C2
InChIInChI=1S/C13H17NO/c1-12(2,3)10-6-5-9-7-8-13(4,15)11(9)14-10/h5-8,15H,1-4H3
InChIKeyBVSIEYFUHCILAA-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol?
The IUPAC name of 2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol (CID 167309103) is 2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol.
What is the SMILES notation for 2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol?
The canonical SMILES for 2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol is CC(C)(C)c1ccc2c(n1)C(C)(O)C=C2.
What is the InChIKey of 2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol?
The InChIKey is BVSIEYFUHCILAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-12(2,3)10-6-5-9-7-8-13(4,15)11(9)14-10/h5-8,15H,1-4H3.
What are the key properties of 2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol?
2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol has a molecular weight of 203.28 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methylcyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 167309103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).