3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine

C14H20N2 — CID 155404109

IUPAC3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
SMILESCC(C)c1[nH]c2cnccc2c1C(C)(C)C
InChIInChI=1S/C14H20N2/c1-9(2)13-12(14(3,4)5)10-6-7-15-8-11(10)16-13/h6-9,16H,1-5H3
InChIKeyGOKADLAJPGZVBN-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.98
Rot. Bonds1

About 3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine

3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 155404109) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID155404109
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
SMILESCC(C)c1[nH]c2cnccc2c1C(C)(C)C
InChIInChI=1S/C14H20N2/c1-9(2)13-12(14(3,4)5)10-6-7-15-8-11(10)16-13/h6-9,16H,1-5H3
InChIKeyGOKADLAJPGZVBN-UHFFFAOYSA-N
XLogP3.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-bromo-2-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine (CID 155404109) is 3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine is CC(C)c1[nH]c2cnccc2c1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is GOKADLAJPGZVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9(2)13-12(14(3,4)5)10-6-7-15-8-11(10)16-13/h6-9,16H,1-5H3.
What are the key properties of 3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine?
3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 216.33 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 155404109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).