2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine

C15H22N2 — CID 138722526

IUPAC2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)c1cnc2cc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C15H22N2/c1-14(2,3)10-7-12-11(16-9-10)8-13(17-12)15(4,5)6/h7-9,17H,1-6H3
InChIKeyIEUQNXQYLSDSQP-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.16
Rot. Bonds

About 2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine

2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 138722526) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID138722526
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)c1cnc2cc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C15H22N2/c1-14(2,3)10-7-12-11(16-9-10)8-13(17-12)15(4,5)6/h7-9,17H,1-6H3
InChIKeyIEUQNXQYLSDSQP-UHFFFAOYSA-N
XLogP4.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine
CID 146323008
2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine
CID 90328648
methyl 6-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-3-carboxylate
CID 169233110
2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde
CID 118078544
4-bromo-2-tert-butyl-1H-pyrrolo[3,2-c]pyridine
CID 171750640
5-tert-butyl-2-chloro-3-methylpyridine
CID 56974537
methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 53412446
2,7-ditert-butyl-1,5-naphthyridine
CID 171466000
1-(6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-methylpropan-2-amine
CID 84808262
N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 163425799
5-tert-butyl-2,3-dimethylidene-1H-pyrrole
CID 139474096
7-tert-butyl-1,5-naphthyridin-2-amine
CID 164792594

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine (CID 138722526) is 2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine is CC(C)(C)c1cnc2cc(C(C)(C)C)[nH]c2c1.
What is the InChIKey of 2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is IEUQNXQYLSDSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-14(2,3)10-7-12-11(16-9-10)8-13(17-12)15(4,5)6/h7-9,17H,1-6H3.
What are the key properties of 2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine?
2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 230.35 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 138722526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).