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

C14H20N2 — CID 58300308

IUPAC5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine
SMILESCC(C)C1=Nc2cnc(C(C)(C)C)cc2C1
InChIInChI=1S/C14H20N2/c1-9(2)11-6-10-7-13(14(3,4)5)15-8-12(10)16-11/h7-9H,6H2,1-5H3
InChIKeyUXPRYJBZXNRSPR-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.66
Rot. Bonds1

About 5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine

5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine (PubChem CID 58300308) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine
PubChem CID58300308
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine
SMILESCC(C)C1=Nc2cnc(C(C)(C)C)cc2C1
InChIInChI=1S/C14H20N2/c1-9(2)11-6-10-7-13(14(3,4)5)15-8-12(10)16-11/h7-9H,6H2,1-5H3
InChIKeyUXPRYJBZXNRSPR-UHFFFAOYSA-N
XLogP3.66
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Prothionamide
CID 666418
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Myosmine
CID 442649
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
2,4-Dimethylpyridine
CID 7936
3-Pentylpyridine
CID 238307
2-(3-Phenylpropyl)Pyridine
CID 459494
2-Isobutylpyridine
CID 61385
4,4'-Dimethyl-2,2'-bipyridine
CID 14338

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine (CID 58300308) is 5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine is CC(C)C1=Nc2cnc(C(C)(C)C)cc2C1.
What is the InChIKey of 5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine?
The InChIKey is UXPRYJBZXNRSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9(2)11-6-10-7-13(14(3,4)5)15-8-12(10)16-11/h7-9H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine?
5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine has a molecular weight of 216.33 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 58300308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).