4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine

C15H19ClN2 — CID 170352114

IUPAC4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]c(CCC3CCCCC3)cc12
InChIInChI=1S/C15H19ClN2/c16-14-8-9-17-15-13(14)10-12(18-15)7-6-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,17,18)
InChIKeyOUXOWQQHCFJZCC-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.73
Rot. Bonds3

About 4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine

4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170352114) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID170352114
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]c(CCC3CCCCC3)cc12
InChIInChI=1S/C15H19ClN2/c16-14-8-9-17-15-13(14)10-12(18-15)7-6-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,17,18)
InChIKeyOUXOWQQHCFJZCC-UHFFFAOYSA-N
XLogP4.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine (CID 170352114) is 4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine is Clc1ccnc2[nH]c(CCC3CCCCC3)cc12.
What is the InChIKey of 4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OUXOWQQHCFJZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c16-14-8-9-17-15-13(14)10-12(18-15)7-6-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,17,18).
What are the key properties of 4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine?
4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 262.78 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-cyclohexylethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170352114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).