1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile

C12H11N3O — CID 114652954

IUPAC1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile
SMILESCOc1cccc(Cn2cccc2C#N)n1
InChIInChI=1S/C12H11N3O/c1-16-12-6-2-4-10(14-12)9-15-7-3-5-11(15)8-13/h2-7H,9H2,1H3
InChIKeyJOWWDHXMICYKKX-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.81
Rot. Bonds3

About 1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile

1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile (PubChem CID 114652954) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile
PubChem CID114652954
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile
SMILESCOc1cccc(Cn2cccc2C#N)n1
InChIInChI=1S/C12H11N3O/c1-16-12-6-2-4-10(14-12)9-15-7-3-5-11(15)8-13/h2-7H,9H2,1H3
InChIKeyJOWWDHXMICYKKX-UHFFFAOYSA-N
XLogP1.81
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one
CID 115659308
1-(methoxymethyl)pyrrole-2-carbonitrile
CID 112692720
5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116619644
7-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116618872
2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile
CID 63984499
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902409
1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
CID 114652451
3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline
CID 63985676
N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 63984535
(R)-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanol
CID 99823177
5-iodo-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 66342432

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile (CID 114652954) is 1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile is COc1cccc(Cn2cccc2C#N)n1.
What is the InChIKey of 1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile?
The InChIKey is JOWWDHXMICYKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-16-12-6-2-4-10(14-12)9-15-7-3-5-11(15)8-13/h2-7H,9H2,1H3.
What are the key properties of 1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile?
1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 114652954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).