4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine

C15H13BrN2 — CID 102368288

IUPAC4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine
SMILESCC(c1ccccc1)c1c[nH]c2cncc(Br)c12
InChIInChI=1S/C15H13BrN2/c1-10(11-5-3-2-4-6-11)12-7-18-14-9-17-8-13(16)15(12)14/h2-10,18H,1H3
InChIKeyCZYJHAZIPIDRGS-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.48
Rot. Bonds2

About 4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine

4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 102368288) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID102368288
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine
SMILESCC(c1ccccc1)c1c[nH]c2cncc(Br)c12
InChIInChI=1S/C15H13BrN2/c1-10(11-5-3-2-4-6-11)12-7-18-14-9-17-8-13(16)15(12)14/h2-10,18H,1H3
InChIKeyCZYJHAZIPIDRGS-UHFFFAOYSA-N
XLogP4.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine (CID 102368288) is 4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine is CC(c1ccccc1)c1c[nH]c2cncc(Br)c12.
What is the InChIKey of 4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is CZYJHAZIPIDRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c1-10(11-5-3-2-4-6-11)12-7-18-14-9-17-8-13(16)15(12)14/h2-10,18H,1H3.
What are the key properties of 4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine?
4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 301.19 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(1-phenylethyl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 102368288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).