4,5,6-trimethyl-5H-cyclopenta[b]pyridine

C11H13N — CID 162141409

IUPAC4,5,6-trimethyl-5H-cyclopenta[b]pyridine
SMILESCC1=Cc2nccc(C)c2C1C
InChIInChI=1S/C11H13N/c1-7-4-5-12-10-6-8(2)9(3)11(7)10/h4-6,9H,1-3H3
InChIKeyTXRQFTAFQOUQTB-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.91
Rot. Bonds

About 4,5,6-trimethyl-5H-cyclopenta[b]pyridine

4,5,6-trimethyl-5H-cyclopenta[b]pyridine (PubChem CID 162141409) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 4,5,6-trimethyl-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4,5,6-trimethyl-5H-cyclopenta[b]pyridine
PubChem CID162141409
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name4,5,6-trimethyl-5H-cyclopenta[b]pyridine
SMILESCC1=Cc2nccc(C)c2C1C
InChIInChI=1S/C11H13N/c1-7-4-5-12-10-6-8(2)9(3)11(7)10/h4-6,9H,1-3H3
InChIKeyTXRQFTAFQOUQTB-UHFFFAOYSA-N
XLogP2.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dimethyl-5H-cyclopenta[b]pyridine
CID 12646115
4-methyl-2,3-dihydrofuro[2,3-b]pyridin-3-amine
CID 86721935
CID 175407566
CID 175407566
4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-ol
CID 176761566
1,9-dimethyl-9H-fluorene
CID 28227
3-(3-chloro-2-methylcyclopentyl)-4-methylpyridin-2-amine
CID 64907729
6,7-dimethyl-7H-cyclohepta[b]pyridine
CID 155713495
1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride
CID 131674871
7-methyl-1H-imidazo[4,5-b]pyridine
CID 3966621
N-[1-(2,4-dimethyl-3-pyridinyl)ethenyl]methanimine
CID 146436926
4-methyl-5H-cyclohepta[b]pyridine
CID 143466582
3-chloro-2,4-dimethylpyridine
CID 12508368

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-5H-cyclopenta[b]pyridine?
The IUPAC name of 4,5,6-trimethyl-5H-cyclopenta[b]pyridine (CID 162141409) is 4,5,6-trimethyl-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 4,5,6-trimethyl-5H-cyclopenta[b]pyridine?
The canonical SMILES for 4,5,6-trimethyl-5H-cyclopenta[b]pyridine is CC1=Cc2nccc(C)c2C1C.
What is the InChIKey of 4,5,6-trimethyl-5H-cyclopenta[b]pyridine?
The InChIKey is TXRQFTAFQOUQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-7-4-5-12-10-6-8(2)9(3)11(7)10/h4-6,9H,1-3H3.
What are the key properties of 4,5,6-trimethyl-5H-cyclopenta[b]pyridine?
4,5,6-trimethyl-5H-cyclopenta[b]pyridine has a molecular weight of 159.23 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 162141409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).