2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile

C9H7N3 — CID 162786281

IUPAC2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile
SMILESN#CCc1cc2cc[nH]c2cn1
InChIInChI=1S/C9H7N3/c10-3-1-8-5-7-2-4-11-9(7)6-12-8/h2,4-6,11H,1H2
InChIKeyZNDSMDMKQKLGOM-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.63
Rot. Bonds1

About 2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile

2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile (PubChem CID 162786281) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile
PubChem CID162786281
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile
SMILESN#CCc1cc2cc[nH]c2cn1
InChIInChI=1S/C9H7N3/c10-3-1-8-5-7-2-4-11-9(7)6-12-8/h2,4-6,11H,1H2
InChIKeyZNDSMDMKQKLGOM-UHFFFAOYSA-N
XLogP1.63
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile?
The IUPAC name of 2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile (CID 162786281) is 2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile?
The canonical SMILES for 2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile is N#CCc1cc2cc[nH]c2cn1.
What is the InChIKey of 2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile?
The InChIKey is ZNDSMDMKQKLGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c10-3-1-8-5-7-2-4-11-9(7)6-12-8/h2,4-6,11H,1H2.
What are the key properties of 2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile?
2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[2,3-c]pyridin-5-yl)acetonitrile is sourced from PubChem (CID 162786281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).