3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile

C10H12ClN3O — CID 107057550

IUPAC3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
SMILESCC(O)CN(C)c1nccc(C#N)c1Cl
InChIInChI=1S/C10H12ClN3O/c1-7(15)6-14(2)10-9(11)8(5-12)3-4-13-10/h3-4,7,15H,6H2,1-2H3
InChIKeyMRJMCGBBMZOAEF-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.42
Rot. Bonds3

About 3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile

3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile (PubChem CID 107057550) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
PubChem CID107057550
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
SMILESCC(O)CN(C)c1nccc(C#N)c1Cl
InChIInChI=1S/C10H12ClN3O/c1-7(15)6-14(2)10-9(11)8(5-12)3-4-13-10/h3-4,7,15H,6H2,1-2H3
InChIKeyMRJMCGBBMZOAEF-UHFFFAOYSA-N
XLogP1.42
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
CID 107058480
3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
CID 107056896
2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide
CID 107056929
3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 107056611
3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 107057272
3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 107057326
3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 107479563
3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
CID 107058051
3-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 107057707
4-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]benzoic acid
CID 107056589
4-chloro-2-[2-hydroxypropyl(methyl)amino]benzonitrile
CID 63083146
1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol
CID 91651052

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile (CID 107057550) is 3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile is CC(O)CN(C)c1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile?
The InChIKey is MRJMCGBBMZOAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-7(15)6-14(2)10-9(11)8(5-12)3-4-13-10/h3-4,7,15H,6H2,1-2H3.
What are the key properties of 3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile has a molecular weight of 225.68 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).