5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile

C9H10F2N4O — CID 106167287

IUPAC5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC(F)(F)CO)c(N)c1
InChIInChI=1S/C9H10F2N4O/c10-9(11,5-16)4-15-8-7(13)1-6(2-12)3-14-8/h1,3,16H,4-5,13H2,(H,14,15)
InChIKeyVVMQGZGUJCOXSY-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.57
Rot. Bonds4

About 5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile

5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile (PubChem CID 106167287) has the molecular formula C9H10F2N4O and a molecular weight of 228.20 g/mol. Its IUPAC name is 5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile
PubChem CID106167287
Molecular FormulaC9H10F2N4O
Molecular Weight228.20 g/mol
Exact Mass228.08
IUPAC Name5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC(F)(F)CO)c(N)c1
InChIInChI=1S/C9H10F2N4O/c10-9(11,5-16)4-15-8-7(13)1-6(2-12)3-14-8/h1,3,16H,4-5,13H2,(H,14,15)
InChIKeyVVMQGZGUJCOXSY-UHFFFAOYSA-N
XLogP0.57
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 103468880
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468530
5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103468844
5-amino-6-(2-ethoxyethylamino)pyridine-3-carbonitrile
CID 103467671
5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
CID 103467539
5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 103468421
5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
CID 103468093
5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile
CID 103469139

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile (CID 106167287) is 5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile is N#Cc1cnc(NCC(F)(F)CO)c(N)c1.
What is the InChIKey of 5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile?
The InChIKey is VVMQGZGUJCOXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O/c10-9(11,5-16)4-15-8-7(13)1-6(2-12)3-14-8/h1,3,16H,4-5,13H2,(H,14,15).
What are the key properties of 5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile?
5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile has a molecular weight of 228.20 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 106167287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).