1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine

C10H14N2 — CID 123579495

IUPAC1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine
SMILESCC1=CN(C)C2C(=C1)C=CN2C
InChIInChI=1S/C10H14N2/c1-8-6-9-4-5-11(2)10(9)12(3)7-8/h4-7,10H,1-3H3
InChIKeyXEZWPWJZHPLLRW-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.55
Rot. Bonds

About 1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine

1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine (PubChem CID 123579495) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine
PubChem CID123579495
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine
SMILESCC1=CN(C)C2C(=C1)C=CN2C
InChIInChI=1S/C10H14N2/c1-8-6-9-4-5-11(2)10(9)12(3)7-8/h4-7,10H,1-3H3
InChIKeyXEZWPWJZHPLLRW-UHFFFAOYSA-N
XLogP1.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene
CID 123614469
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CID 18916585
1,1-Dimethylcyclopenta[b]pyridin-1-ium iodide
CID 18916601
1-ethenyl-3,5-dimethyl-2H-pyridine
CID 23183597
1-methyl-7-propyl-8aH-imidazo[1,2-a]pyridine
CID 54011869
1-Methyl-5,6-dihydroindole
CID 54289923
1-methyl-6-propyl-8aH-imidazo[1,2-a]pyridine
CID 54478970
6-Methyl-2,3-dihydroindolizine
CID 58139913
6-methyl-5-methylidene-1H-indolizine
CID 59284223
2-methyl-1-methylidene-5H-cyclopenta[c]pyridine
CID 60097945
1-methyl-7-sulfanyl-7aH-pyrrolo[2,3-b]pyridine
CID 88901783
(4Z,6Z,8E)-1-methyl-3-methylidene-2H-azonine
CID 89411806

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine (CID 123579495) is 1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine is CC1=CN(C)C2C(=C1)C=CN2C.
What is the InChIKey of 1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine?
The InChIKey is XEZWPWJZHPLLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-6-9-4-5-11(2)10(9)12(3)7-8/h4-7,10H,1-3H3.
What are the key properties of 1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine?
1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine has a molecular weight of 162.24 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-7aH-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 123579495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).