2-amino-3-methoxypyridine-4-carbonitrile

C7H7N3O — CID 119008988

IUPAC2-amino-3-methoxypyridine-4-carbonitrile
SMILESCOc1c(C#N)ccnc1N
InChIInChI=1S/C7H7N3O/c1-11-6-5(4-8)2-3-10-7(6)9/h2-3H,1H3,(H2,9,10)
InChIKeyABASPPBWBYZPSA-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.54
Rot. Bonds1

About 2-amino-3-methoxypyridine-4-carbonitrile

2-amino-3-methoxypyridine-4-carbonitrile (PubChem CID 119008988) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-amino-3-methoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-3-methoxypyridine-4-carbonitrile
PubChem CID119008988
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2-amino-3-methoxypyridine-4-carbonitrile
SMILESCOc1c(C#N)ccnc1N
InChIInChI=1S/C7H7N3O/c1-11-6-5(4-8)2-3-10-7(6)9/h2-3H,1H3,(H2,9,10)
InChIKeyABASPPBWBYZPSA-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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Related Compounds

2-amino-3-methylpyridine-4-carbonitrile
CID 119015865
methyl 2-amino-4-cyanopyridine-3-carboxylate
CID 130777636
3,4-diamino-2-methoxybenzonitrile
CID 67059560
1,5-dimethoxynaphthalene-2,6-dicarbonitrile
CID 169050323
2-aminopyridine-3-carbonitrile;ethane
CID 144683018
furo[2,3-b]pyridine-4-carbonitrile
CID 133054098
tert-butyl 2-amino-4-cyanopyridine-3-carboxylate
CID 57364515
3-amino-2-(4-methoxyphenyl)sulfanylpyridine-4-carbonitrile
CID 82812797
6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile
CID 59756891
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82684581
3-fluoro-4-hydroxy-2-methoxybenzonitrile
CID 117276441
5,6,7-trimethoxyisoquinoline-1-carbonitrile
CID 13311471

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxypyridine-4-carbonitrile?
The IUPAC name of 2-amino-3-methoxypyridine-4-carbonitrile (CID 119008988) is 2-amino-3-methoxypyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-3-methoxypyridine-4-carbonitrile?
The canonical SMILES for 2-amino-3-methoxypyridine-4-carbonitrile is COc1c(C#N)ccnc1N.
What is the InChIKey of 2-amino-3-methoxypyridine-4-carbonitrile?
The InChIKey is ABASPPBWBYZPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-11-6-5(4-8)2-3-10-7(6)9/h2-3H,1H3,(H2,9,10).
What are the key properties of 2-amino-3-methoxypyridine-4-carbonitrile?
2-amino-3-methoxypyridine-4-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 2-amino-3-methoxypyridine-4-carbonitrile is sourced from PubChem (CID 119008988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).