2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile

C12H8N4O — CID 1474337

IUPAC2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(-n2cccc2C#N)c1C#N
InChIInChI=1S/C12H8N4O/c1-17-11-4-5-15-12(10(11)8-14)16-6-2-3-9(16)7-13/h2-6H,1H3
InChIKeyRGIMXAODPMCNFE-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.62
Rot. Bonds2

About 2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile

2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile (PubChem CID 1474337) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile
PubChem CID1474337
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(-n2cccc2C#N)c1C#N
InChIInChI=1S/C12H8N4O/c1-17-11-4-5-15-12(10(11)8-14)16-6-2-3-9(16)7-13/h2-6H,1H3
InChIKeyRGIMXAODPMCNFE-UHFFFAOYSA-N
XLogP1.62
TPSA74.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile (CID 1474337) is 2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile is COc1ccnc(-n2cccc2C#N)c1C#N.
What is the InChIKey of 2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile?
The InChIKey is RGIMXAODPMCNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c1-17-11-4-5-15-12(10(11)8-14)16-6-2-3-9(16)7-13/h2-6H,1H3.
What are the key properties of 2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile?
2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile has a molecular weight of 224.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 1474337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).