2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine

C16H22N2 — CID 170236919

IUPAC2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine
SMILESCCC1CCCC(Cc2cc3ncccc3[nH]2)C1
InChIInChI=1S/C16H22N2/c1-2-12-5-3-6-13(9-12)10-14-11-16-15(18-14)7-4-8-17-16/h4,7-8,11-13,18H,2-3,5-6,9-10H2,1H3
InChIKeyQHAXZKONRFLMCD-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.32
Rot. Bonds3

About 2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine

2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 170236919) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID170236919
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine
SMILESCCC1CCCC(Cc2cc3ncccc3[nH]2)C1
InChIInChI=1S/C16H22N2/c1-2-12-5-3-6-13(9-12)10-14-11-16-15(18-14)7-4-8-17-16/h4,7-8,11-13,18H,2-3,5-6,9-10H2,1H3
InChIKeyQHAXZKONRFLMCD-UHFFFAOYSA-N
XLogP4.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine (CID 170236919) is 2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine is CCC1CCCC(Cc2cc3ncccc3[nH]2)C1.
What is the InChIKey of 2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is QHAXZKONRFLMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-12-5-3-6-13(9-12)10-14-11-16-15(18-14)7-4-8-17-16/h4,7-8,11-13,18H,2-3,5-6,9-10H2,1H3.
What are the key properties of 2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine?
2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 242.37 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 170236919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).