2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile

C9H7N3O — CID 130744039

IUPAC2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile
SMILESN#CCn1ccc2cc[nH]c2c1=O
InChIInChI=1S/C9H7N3O/c10-3-6-12-5-2-7-1-4-11-8(7)9(12)13/h1-2,4-5,11H,6H2
InChIKeyVIIFILGRXBJMRW-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.85
Rot. Bonds1

About 2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile

2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile (PubChem CID 130744039) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile
PubChem CID130744039
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile
SMILESN#CCn1ccc2cc[nH]c2c1=O
InChIInChI=1S/C9H7N3O/c10-3-6-12-5-2-7-1-4-11-8(7)9(12)13/h1-2,4-5,11H,6H2
InChIKeyVIIFILGRXBJMRW-UHFFFAOYSA-N
XLogP0.85
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-tert-butyl-1-oxoisoquinolin-2-yl)acetonitrile
CID 82143749
2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile
CID 23049007
2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile
CID 82143634
2-(6-bromo-1-oxoisoquinolin-2-yl)acetamide;2-(6-bromo-1-oxoisoquinolin-2-yl)acetonitrile
CID 160650106
1-ethyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 53164514
2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile
CID 130571123
2-(2-ethoxy-4-oxopyrimidin-1-yl)acetonitrile
CID 91622878
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-oxo-1-pyridinyl]acetonitrile
CID 82143768
2-[4-(2-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetonitrile
CID 163349863
2-[4-(4-tert-butylphenyl)-2-oxo-1-pyridinyl]acetonitrile
CID 86653337
1-(cyanomethyl)pyrrole-2-carboxylic acid
CID 51056070
1H-cyclohepta[b]pyrrol-8-one
CID 55288176

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile?
The IUPAC name of 2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile (CID 130744039) is 2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile.
What is the SMILES notation for 2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile?
The canonical SMILES for 2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile is N#CCn1ccc2cc[nH]c2c1=O.
What is the InChIKey of 2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile?
The InChIKey is VIIFILGRXBJMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c10-3-6-12-5-2-7-1-4-11-8(7)9(12)13/h1-2,4-5,11H,6H2.
What are the key properties of 2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile?
2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile has a molecular weight of 173.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)acetonitrile is sourced from PubChem (CID 130744039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).