5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile

C9H10F2N4 — CID 103469188

IUPAC5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
SMILESCN(CC(F)F)c1ncc(C#N)cc1N
InChIInChI=1S/C9H10F2N4/c1-15(5-8(10)11)9-7(13)2-6(3-12)4-14-9/h2,4,8H,5,13H2,1H3
InChIKeyAQJWWZYMQROOLC-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.24
Rot. Bonds3

About 5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile

5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile (PubChem CID 103469188) has the molecular formula C9H10F2N4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
PubChem CID103469188
Molecular FormulaC9H10F2N4
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC Name5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
SMILESCN(CC(F)F)c1ncc(C#N)cc1N
InChIInChI=1S/C9H10F2N4/c1-15(5-8(10)11)9-7(13)2-6(3-12)4-14-9/h2,4,8H,5,13H2,1H3
InChIKeyAQJWWZYMQROOLC-UHFFFAOYSA-N
XLogP1.24
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
CID 103469180
5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile
CID 103468814
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 103468332
2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 103468035
5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103467234
5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103468013
3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
CID 107058480
5-amino-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
CID 103468022
5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile
CID 107748198
3-[(5-aminopyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 79917514
3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine
CID 102759999

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile (CID 103469188) is 5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile is CN(CC(F)F)c1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile?
The InChIKey is AQJWWZYMQROOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4/c1-15(5-8(10)11)9-7(13)2-6(3-12)4-14-9/h2,4,8H,5,13H2,1H3.
What are the key properties of 5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile?
5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile has a molecular weight of 212.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103469188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).