5-amino-6-methoxypyridine-2-carbonitrile

C7H7N3O — CID 55252934

IUPAC5-amino-6-methoxypyridine-2-carbonitrile
SMILESCOc1nc(C#N)ccc1N
InChIInChI=1S/C7H7N3O/c1-11-7-6(9)3-2-5(4-8)10-7/h2-3H,9H2,1H3
InChIKeyHLYXYYPRNCNHQZ-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.54
Rot. Bonds1

About 5-amino-6-methoxypyridine-2-carbonitrile

5-amino-6-methoxypyridine-2-carbonitrile (PubChem CID 55252934) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-amino-6-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-6-methoxypyridine-2-carbonitrile
PubChem CID55252934
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name5-amino-6-methoxypyridine-2-carbonitrile
SMILESCOc1nc(C#N)ccc1N
InChIInChI=1S/C7H7N3O/c1-11-7-6(9)3-2-5(4-8)10-7/h2-3H,9H2,1H3
InChIKeyHLYXYYPRNCNHQZ-UHFFFAOYSA-N
XLogP0.54
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methoxypyridine-2-carbonitrile?
The IUPAC name of 5-amino-6-methoxypyridine-2-carbonitrile (CID 55252934) is 5-amino-6-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-6-methoxypyridine-2-carbonitrile?
The canonical SMILES for 5-amino-6-methoxypyridine-2-carbonitrile is COc1nc(C#N)ccc1N.
What is the InChIKey of 5-amino-6-methoxypyridine-2-carbonitrile?
The InChIKey is HLYXYYPRNCNHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-11-7-6(9)3-2-5(4-8)10-7/h2-3H,9H2,1H3.
What are the key properties of 5-amino-6-methoxypyridine-2-carbonitrile?
5-amino-6-methoxypyridine-2-carbonitrile has a molecular weight of 149.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 55252934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).