1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile

C9H4N4 — CID 68804667

IUPAC1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc2c(C#N)c[nH]c2cn1
InChIInChI=1S/C9H4N4/c10-2-6-4-13-9-5-12-7(3-11)1-8(6)9/h1,4-5,13H
InChIKeyYPKOIXBZBPCDQI-UHFFFAOYSA-N
MW168.16 g/mol
LogP1.31
Rot. Bonds

About 1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile

1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile (PubChem CID 68804667) has the molecular formula C9H4N4 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile
PubChem CID68804667
Molecular FormulaC9H4N4
Molecular Weight168.16 g/mol
Exact Mass168.04
IUPAC Name1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc2c(C#N)c[nH]c2cn1
InChIInChI=1S/C9H4N4/c10-2-6-4-13-9-5-12-7(3-11)1-8(6)9/h1,4-5,13H
InChIKeyYPKOIXBZBPCDQI-UHFFFAOYSA-N
XLogP1.31
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile?
The IUPAC name of 1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile (CID 68804667) is 1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile is N#Cc1cc2c(C#N)c[nH]c2cn1.
What is the InChIKey of 1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile?
The InChIKey is YPKOIXBZBPCDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N4/c10-2-6-4-13-9-5-12-7(3-11)1-8(6)9/h1,4-5,13H.
What are the key properties of 1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile?
1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile has a molecular weight of 168.16 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 68804667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).