1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine

C20H16N4 — CID 160719187

IUPAC1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine
SMILESc1ccc(-n2ccc3ncccc32)cc1.c1cnc2cc[nH]c2c1
InChIInChI=1S/C13H10N2.C7H6N2/c1-2-5-11(6-3-1)15-10-8-12-13(15)7-4-9-14-12;1-2-6-7(8-4-1)3-5-9-6/h1-10H;1-5,9H
InChIKeyRSWKLPDRWSJROO-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.59
Rot. Bonds1

About 1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine

1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine (PubChem CID 160719187) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine
PubChem CID160719187
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine
SMILESc1ccc(-n2ccc3ncccc32)cc1.c1cnc2cc[nH]c2c1
InChIInChI=1S/C13H10N2.C7H6N2/c1-2-5-11(6-3-1)15-10-8-12-13(15)7-4-9-14-12;1-2-6-7(8-4-1)3-5-9-6/h1-10H;1-5,9H
InChIKeyRSWKLPDRWSJROO-UHFFFAOYSA-N
XLogP4.59
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine (CID 160719187) is 1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine is c1ccc(-n2ccc3ncccc32)cc1.c1cnc2cc[nH]c2c1.
What is the InChIKey of 1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine?
The InChIKey is RSWKLPDRWSJROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.C7H6N2/c1-2-5-11(6-3-1)15-10-8-12-13(15)7-4-9-14-12;1-2-6-7(8-4-1)3-5-9-6/h1-10H;1-5,9H.
What are the key properties of 1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine?
1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine has a molecular weight of 312.38 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 160719187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).