2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

C16H13N3O2 — CID 25208442

IUPAC2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2ccc[nH]2)cc(-c2ccc(C)o2)c1C#N
InChIInChI=1S/C16H13N3O2/c1-10-5-6-15(21-10)11-8-14(13-4-3-7-18-13)19-16(20-2)12(11)9-17/h3-8,18H,1-2H3
InChIKeyVVEOAXWGYNWOLM-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.53
Rot. Bonds3

About 2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (PubChem CID 25208442) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
PubChem CID25208442
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2ccc[nH]2)cc(-c2ccc(C)o2)c1C#N
InChIInChI=1S/C16H13N3O2/c1-10-5-6-15(21-10)11-8-14(13-4-3-7-18-13)19-16(20-2)12(11)9-17/h3-8,18H,1-2H3
InChIKeyVVEOAXWGYNWOLM-UHFFFAOYSA-N
XLogP3.53
TPSA74.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (CID 25208442) is 2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is COc1nc(-c2ccc[nH]2)cc(-c2ccc(C)o2)c1C#N.
What is the InChIKey of 2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The InChIKey is VVEOAXWGYNWOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-5-6-15(21-10)11-8-14(13-4-3-7-18-13)19-16(20-2)12(11)9-17/h3-8,18H,1-2H3.
What are the key properties of 2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 25208442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).