2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile

C12H9N3O — CID 162410580

IUPAC2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile
SMILESCOc1cnccc1-c1cc(C#N)ccn1
InChIInChI=1S/C12H9N3O/c1-16-12-8-14-4-3-10(12)11-6-9(7-13)2-5-15-11/h2-6,8H,1H3
InChIKeyJGGQQBCWQDATAN-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.02
Rot. Bonds2

About 2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile

2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile (PubChem CID 162410580) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile
PubChem CID162410580
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile
SMILESCOc1cnccc1-c1cc(C#N)ccn1
InChIInChI=1S/C12H9N3O/c1-16-12-8-14-4-3-10(12)11-6-9(7-13)2-5-15-11/h2-6,8H,1H3
InChIKeyJGGQQBCWQDATAN-UHFFFAOYSA-N
XLogP2.02
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile
CID 122686095
2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
CID 139447771
2-pyridin-4-ylpyridine-4-carbonitrile
CID 46315387
2-[5-amino-3-(3-methoxy-4-pyridinyl)pyrazol-1-yl]ethanol
CID 105063635
5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile
CID 171091317
3-chloro-6-(3-methoxy-4-pyridinyl)pyridazine
CID 177188598
2-(2-acetylphenyl)pyridine-4-carbonitrile
CID 39782180
4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine
CID 105064795
4-methoxy-3-[2-(methylamino)pyrimidin-4-yl]benzonitrile
CID 106951518
2-(5-amino-2-pyridinyl)pyridine-4-carbonitrile
CID 137352887
2-[5-[3,5-bis[6-(4-cyano-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-4-carbonitrile
CID 118397873
4-[2-(4-methoxy-3-pyridinyl)-4-pyridinyl]quinoline
CID 142783459

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile (CID 162410580) is 2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile is COc1cnccc1-c1cc(C#N)ccn1.
What is the InChIKey of 2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile?
The InChIKey is JGGQQBCWQDATAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-16-12-8-14-4-3-10(12)11-6-9(7-13)2-5-15-11/h2-6,8H,1H3.
What are the key properties of 2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile?
2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile has a molecular weight of 211.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-pyridinyl)pyridine-4-carbonitrile is sourced from PubChem (CID 162410580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).