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

C10H9N3 — CID 123600772

IUPAC3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESCCc1c[nH]c2ccc(C#N)nc12
InChIInChI=1S/C10H9N3/c1-2-7-6-12-9-4-3-8(5-11)13-10(7)9/h3-4,6,12H,2H2,1H3
InChIKeyBAIRIBRBRKXTAV-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.00
Rot. Bonds1

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

3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (PubChem CID 123600772) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
PubChem CID123600772
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESCCc1c[nH]c2ccc(C#N)nc12
InChIInChI=1S/C10H9N3/c1-2-7-6-12-9-4-3-8(5-11)13-10(7)9/h3-4,6,12H,2H2,1H3
InChIKeyBAIRIBRBRKXTAV-UHFFFAOYSA-N
XLogP2.00
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The IUPAC name of 3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (CID 123600772) is 3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is CCc1c[nH]c2ccc(C#N)nc12.
What is the InChIKey of 3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The InChIKey is BAIRIBRBRKXTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-7-6-12-9-4-3-8(5-11)13-10(7)9/h3-4,6,12H,2H2,1H3.
What are the key properties of 3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile has a molecular weight of 171.20 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 123600772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).