4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

C11H11ClN2O — CID 162760969

IUPAC4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1c(CC2COC2)cnc2[nH]ccc12
InChIInChI=1S/C11H11ClN2O/c12-10-8(3-7-5-15-6-7)4-14-11-9(10)1-2-13-11/h1-2,4,7H,3,5-6H2,(H,13,14)
InChIKeyMCNUABJKCUJXPB-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.41
Rot. Bonds2

About 4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162760969) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID162760969
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1c(CC2COC2)cnc2[nH]ccc12
InChIInChI=1S/C11H11ClN2O/c12-10-8(3-7-5-15-6-7)4-14-11-9(10)1-2-13-11/h1-2,4,7H,3,5-6H2,(H,13,14)
InChIKeyMCNUABJKCUJXPB-UHFFFAOYSA-N
XLogP2.41
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (CID 162760969) is 4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is Clc1c(CC2COC2)cnc2[nH]ccc12.
What is the InChIKey of 4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MCNUABJKCUJXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-10-8(3-7-5-15-6-7)4-14-11-9(10)1-2-13-11/h1-2,4,7H,3,5-6H2,(H,13,14).
What are the key properties of 4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 222.67 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162760969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).