3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

C8H6N4 — CID 53412495

IUPAC3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(N)c2n1
InChIInChI=1S/C8H6N4/c9-3-5-1-2-7-8(12-5)6(10)4-11-7/h1-2,4,11H,10H2
InChIKeyPHRFIOFSGKAARK-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.02
Rot. Bonds

About 3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (PubChem CID 53412495) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
PubChem CID53412495
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(N)c2n1
InChIInChI=1S/C8H6N4/c9-3-5-1-2-7-8(12-5)6(10)4-11-7/h1-2,4,11H,10H2
InChIKeyPHRFIOFSGKAARK-UHFFFAOYSA-N
XLogP1.02
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The IUPAC name of 3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (CID 53412495) is 3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is N#Cc1ccc2[nH]cc(N)c2n1.
What is the InChIKey of 3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The InChIKey is PHRFIOFSGKAARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c9-3-5-1-2-7-8(12-5)6(10)4-11-7/h1-2,4,11H,10H2.
What are the key properties of 3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile has a molecular weight of 158.16 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 53412495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).