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

C15H14N2 — CID 19916805

IUPAC4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(CCc2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C15H14N2/c1-2-4-12(5-3-1)6-7-13-8-10-16-15-14(13)9-11-17-15/h1-5,8-11H,6-7H2,(H,16,17)
InChIKeyNLKBCAXKNOVEGZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.35
Rot. Bonds3

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

4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 19916805) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID19916805
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(CCc2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C15H14N2/c1-2-4-12(5-3-1)6-7-13-8-10-16-15-14(13)9-11-17-15/h1-5,8-11H,6-7H2,(H,16,17)
InChIKeyNLKBCAXKNOVEGZ-UHFFFAOYSA-N
XLogP3.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine (CID 19916805) is 4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine is c1ccc(CCc2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NLKBCAXKNOVEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-2-4-12(5-3-1)6-7-13-8-10-16-15-14(13)9-11-17-15/h1-5,8-11H,6-7H2,(H,16,17).
What are the key properties of 4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine?
4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 222.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 19916805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).