3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile

C9H10ClN3O — CID 130638110

IUPAC3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile
SMILESC[C@@H](CO)Nc1ccc(Cl)c(C#N)n1
InChIInChI=1S/C9H10ClN3O/c1-6(5-14)12-9-3-2-7(10)8(4-11)13-9/h2-3,6,14H,5H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeySSIJOQYRFIRFFA-LURJTMIESA-N
MW211.65 g/mol
LogP1.40
Rot. Bonds3

About 3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile

3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 130638110) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile
PubChem CID130638110
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile
SMILESC[C@@H](CO)Nc1ccc(Cl)c(C#N)n1
InChIInChI=1S/C9H10ClN3O/c1-6(5-14)12-9-3-2-7(10)8(4-11)13-9/h2-3,6,14H,5H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeySSIJOQYRFIRFFA-LURJTMIESA-N
XLogP1.40
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[benzyl(methyl)amino]propan-2-ylamino]-3-chloropyridine-2-carbonitrile
CID 133435878
3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile
CID 133370751
3-chloro-6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
CID 133417849
3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 103468731
3-chloro-6-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]pyridine-2-carbonitrile
CID 133331575
3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile
CID 133333173
3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133335763
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile
CID 133416856
3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103467749
3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile
CID 133327421
3-chloro-6-(hexylamino)pyridine-2-carbonitrile
CID 56583872
3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile
CID 133495324

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile (CID 130638110) is 3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile is C[C@@H](CO)Nc1ccc(Cl)c(C#N)n1.
What is the InChIKey of 3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is SSIJOQYRFIRFFA-LURJTMIESA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-6(5-14)12-9-3-2-7(10)8(4-11)13-9/h2-3,6,14H,5H2,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of 3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile?
3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 211.65 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 130638110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).