2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine

C13H18N2 — CID 158530383

IUPAC2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine
SMILESCc1nccc2c1cc(C(C)(C)C)n2C
InChIInChI=1S/C13H18N2/c1-9-10-8-12(13(2,3)4)15(5)11(10)6-7-14-9/h6-8H,1-5H3
InChIKeyIYIVSWHKCCYOOL-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.18
Rot. Bonds

About 2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine

2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine (PubChem CID 158530383) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine
PubChem CID158530383
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine
SMILESCc1nccc2c1cc(C(C)(C)C)n2C
InChIInChI=1S/C13H18N2/c1-9-10-8-12(13(2,3)4)15(5)11(10)6-7-14-9/h6-8H,1-5H3
InChIKeyIYIVSWHKCCYOOL-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1,4-dimethylindole
CID 121356408
2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine
CID 148896060
1,7,9-trimethylpyrido[3,4-b]indole
CID 163765434
4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine
CID 91219578
1,6,7-trimethylisoquinoline
CID 138751801
2-(1,1-difluoroethyl)-1-methylindol-4-ol
CID 84678190
4-tert-butylpyrrolo[1,2-a]pyrimidine
CID 58270248
2-tert-butyl-3-methyl-[1]benzothiolo[2,3-b]pyrrole
CID 162696125
1,7-dimethylisoquinoline
CID 59050335
1,9-dimethyl-N-(2-phenylethyl)pyrido[3,4-b]indol-6-amine
CID 175189411
2,5-ditert-butyl-1,3-dimethylindole
CID 59882822
3-(2-tert-butylpyrimidin-4-yl)-1,6-dimethylindole
CID 173339595

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine?
The IUPAC name of 2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine (CID 158530383) is 2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine is Cc1nccc2c1cc(C(C)(C)C)n2C.
What is the InChIKey of 2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine?
The InChIKey is IYIVSWHKCCYOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-10-8-12(13(2,3)4)15(5)11(10)6-7-14-9/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine?
2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine has a molecular weight of 202.30 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4-dimethylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 158530383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).