5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine

C15H19BrN2O — CID 176562674

IUPAC5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine
SMILESCOCC1CCC(n2ccc3cc(Br)cnc32)CC1
InChIInChI=1S/C15H19BrN2O/c1-19-10-11-2-4-14(5-3-11)18-7-6-12-8-13(16)9-17-15(12)18/h6-9,11,14H,2-5,10H2,1H3
InChIKeyFBDLOTLWYNIARG-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.18
Rot. Bonds3

About 5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine

5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine (PubChem CID 176562674) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine
PubChem CID176562674
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine
SMILESCOCC1CCC(n2ccc3cc(Br)cnc32)CC1
InChIInChI=1S/C15H19BrN2O/c1-19-10-11-2-4-14(5-3-11)18-7-6-12-8-13(16)9-17-15(12)18/h6-9,11,14H,2-5,10H2,1H3
InChIKeyFBDLOTLWYNIARG-UHFFFAOYSA-N
XLogP4.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine (CID 176562674) is 5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine is COCC1CCC(n2ccc3cc(Br)cnc32)CC1.
What is the InChIKey of 5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine?
The InChIKey is FBDLOTLWYNIARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-19-10-11-2-4-14(5-3-11)18-7-6-12-8-13(16)9-17-15(12)18/h6-9,11,14H,2-5,10H2,1H3.
What are the key properties of 5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine?
5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine has a molecular weight of 323.23 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[4-(methoxymethyl)cyclohexyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 176562674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).