4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile

C10H10N2O2 — CID 103347923

IUPAC4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile
SMILESCOc1cccc(C(=O)CCC#N)n1
InChIInChI=1S/C10H10N2O2/c1-14-10-6-2-4-8(12-10)9(13)5-3-7-11/h2,4,6H,3,5H2,1H3
InChIKeyJTQIZPPZBVZACP-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.58
Rot. Bonds4

About 4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile

4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile (PubChem CID 103347923) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile.

Molecular Properties

Compound Name4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile
PubChem CID103347923
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile
SMILESCOc1cccc(C(=O)CCC#N)n1
InChIInChI=1S/C10H10N2O2/c1-14-10-6-2-4-8(12-10)9(13)5-3-7-11/h2,4,6H,3,5H2,1H3
InChIKeyJTQIZPPZBVZACP-UHFFFAOYSA-N
XLogP1.58
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile?
The IUPAC name of 4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile (CID 103347923) is 4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile.
What is the SMILES notation for 4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile?
The canonical SMILES for 4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile is COc1cccc(C(=O)CCC#N)n1.
What is the InChIKey of 4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile?
The InChIKey is JTQIZPPZBVZACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10-6-2-4-8(12-10)9(13)5-3-7-11/h2,4,6H,3,5H2,1H3.
What are the key properties of 4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile?
4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile has a molecular weight of 190.20 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile is sourced from PubChem (CID 103347923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).