2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile

C9H7N3 — CID 132602686

IUPAC2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile
SMILESN#CCn1ccc2ccnc-2c1
InChIInChI=1S/C9H7N3/c10-3-6-12-5-2-8-1-4-11-9(8)7-12/h1-2,4-5,7H,6H2
InChIKeyQEDWMSFDNLEDGE-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.51
Rot. Bonds1

About 2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile

2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile (PubChem CID 132602686) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile.

Molecular Properties

Compound Name2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile
PubChem CID132602686
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile
SMILESN#CCn1ccc2ccnc-2c1
InChIInChI=1S/C9H7N3/c10-3-6-12-5-2-8-1-4-11-9(8)7-12/h1-2,4-5,7H,6H2
InChIKeyQEDWMSFDNLEDGE-UHFFFAOYSA-N
XLogP1.51
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 142486422
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CID 173238933
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CID 45482646
2-(4-propan-2-ylimidazol-1-yl)acetonitrile
CID 163393413
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]acetonitrile
CID 79099547
2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetonitrile
CID 79109579
1-(cyanomethyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 121210878
2-(benzotriazol-2-yl)acetonitrile
CID 640743
2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
2-[1-(cyclopropylmethyl)imidazol-4-yl]pyridine-4-carbonitrile
CID 90407413
2-pyridin-4-ylpyridine-4-carbonitrile
CID 46315387
2-imidazol-1-ylacetonitrile;propanenitrile;hydrochloride
CID 145097048

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile?
The IUPAC name of 2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile (CID 132602686) is 2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile.
What is the SMILES notation for 2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile?
The canonical SMILES for 2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile is N#CCn1ccc2ccnc-2c1.
What is the InChIKey of 2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile?
The InChIKey is QEDWMSFDNLEDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c10-3-6-12-5-2-8-1-4-11-9(8)7-12/h1-2,4-5,7H,6H2.
What are the key properties of 2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile?
2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolo[2,3-c]pyridin-6-ylacetonitrile is sourced from PubChem (CID 132602686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).