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

C13H18N2 — CID 91219578

IUPAC4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine
SMILESCc1cn(C)c2ccnc(C(C)(C)C)c12
InChIInChI=1S/C13H18N2/c1-9-8-15(5)10-6-7-14-12(11(9)10)13(2,3)4/h6-8H,1-5H3
InChIKeyPIMVHUDMXCJUQD-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.18
Rot. Bonds

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

4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine (PubChem CID 91219578) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine
PubChem CID91219578
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine
SMILESCc1cn(C)c2ccnc(C(C)(C)C)c12
InChIInChI=1S/C13H18N2/c1-9-8-15(5)10-6-7-14-12(11(9)10)13(2,3)4/h6-8H,1-5H3
InChIKeyPIMVHUDMXCJUQD-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

1,3-dimethylpyrrolo[3,2-c]pyridin-4-amine;propane
CID 158248521
ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine
CID 145487043
2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 150332027
2-(1,3-dimethylindol-4-yl)propan-2-ol
CID 15852030
1,4-ditert-butylpyrrolo[3,2-c]pyridine
CID 118391024
4-fluoro-1-methylpyrrolo[3,2-c]pyridin-3-ol
CID 133061751
4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde
CID 82411213
1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol
CID 117204407
3-bromo-4-methoxy-1-methylpyrrolo[3,2-c]pyridine
CID 133055733
methyl 2-tert-butyl-4-methylpyridine-3-carboxylate
CID 118501840
1,4-dimethylindol-3-amine
CID 89174209
1,3-dimethylpyrrolo[2,3-c]pyridine
CID 59430828

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine?
The IUPAC name of 4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine (CID 91219578) is 4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine is Cc1cn(C)c2ccnc(C(C)(C)C)c12.
What is the InChIKey of 4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine?
The InChIKey is PIMVHUDMXCJUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-8-15(5)10-6-7-14-12(11(9)10)13(2,3)4/h6-8H,1-5H3.
What are the key properties of 4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine?
4-tert-butyl-1,3-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 4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 91219578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).