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

C14H12N2 — CID 57482994

IUPAC4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C14H12N2/c1-10-2-4-11(5-3-10)12-6-8-15-14-13(12)7-9-16-14/h2-9H,1H3,(H,15,16)
InChIKeyJNKPFYGHHWTGQG-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.54
Rot. Bonds1

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

4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 57482994) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID57482994
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C14H12N2/c1-10-2-4-11(5-3-10)12-6-8-15-14-13(12)7-9-16-14/h2-9H,1H3,(H,15,16)
InChIKeyJNKPFYGHHWTGQG-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 57482994) is 4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine is Cc1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JNKPFYGHHWTGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-10-2-4-11(5-3-10)12-6-8-15-14-13(12)7-9-16-14/h2-9H,1H3,(H,15,16).
What are the key properties of 4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine?
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 208.26 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 57482994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).