3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine

C17H26N2O — CID 145262793

IUPAC3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine
SMILESCC(C)CC1=C(c2cccnc2)C(C)(C)N(O)C1(C)C
InChIInChI=1S/C17H26N2O/c1-12(2)10-14-15(13-8-7-9-18-11-13)17(5,6)19(20)16(14,3)4/h7-9,11-12,20H,10H2,1-6H3
InChIKeyOENBSUNYRIDJDH-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.14
Rot. Bonds3

About 3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine

3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine (PubChem CID 145262793) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine.

Molecular Properties

Compound Name3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine
PubChem CID145262793
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine
SMILESCC(C)CC1=C(c2cccnc2)C(C)(C)N(O)C1(C)C
InChIInChI=1S/C17H26N2O/c1-12(2)10-14-15(13-8-7-9-18-11-13)17(5,6)19(20)16(14,3)4/h7-9,11-12,20H,10H2,1-6H3
InChIKeyOENBSUNYRIDJDH-UHFFFAOYSA-N
XLogP4.14
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine?
The IUPAC name of 3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine (CID 145262793) is 3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine.
What is the SMILES notation for 3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine?
The canonical SMILES for 3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine is CC(C)CC1=C(c2cccnc2)C(C)(C)N(O)C1(C)C.
What is the InChIKey of 3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine?
The InChIKey is OENBSUNYRIDJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)10-14-15(13-8-7-9-18-11-13)17(5,6)19(20)16(14,3)4/h7-9,11-12,20H,10H2,1-6H3.
What are the key properties of 3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine?
3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine has a molecular weight of 274.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-2,2,5,5-tetramethyl-4-(2-methylpropyl)pyrrol-3-yl]pyridine is sourced from PubChem (CID 145262793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).