3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile

C10H12ClN3O2 — CID 107057828

IUPAC3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile
SMILESCOCC(O)CNc1nccc(C#N)c1Cl
InChIInChI=1S/C10H12ClN3O2/c1-16-6-8(15)5-14-10-9(11)7(4-12)2-3-13-10/h2-3,8,15H,5-6H2,1H3,(H,13,14)
InChIKeyQLPGAVHFUPGLQC-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.03
Rot. Bonds5

About 3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile

3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile (PubChem CID 107057828) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile
PubChem CID107057828
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile
SMILESCOCC(O)CNc1nccc(C#N)c1Cl
InChIInChI=1S/C10H12ClN3O2/c1-16-6-8(15)5-14-10-9(11)7(4-12)2-3-13-10/h2-3,8,15H,5-6H2,1H3,(H,13,14)
InChIKeyQLPGAVHFUPGLQC-UHFFFAOYSA-N
XLogP1.03
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061307
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 107056731
3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 107058127
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
3-chloro-2-(prop-2-enylamino)pyridine-4-carbonitrile
CID 107056845
3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile
CID 106290624
3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile
CID 107058420
3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile
CID 107057999
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile
CID 107057390
3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057587

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile (CID 107057828) is 3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile is COCC(O)CNc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile?
The InChIKey is QLPGAVHFUPGLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-16-6-8(15)5-14-10-9(11)7(4-12)2-3-13-10/h2-3,8,15H,5-6H2,1H3,(H,13,14).
What are the key properties of 3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile has a molecular weight of 241.68 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).