3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile

C10H12ClN3O — CID 133370751

IUPAC3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)(CO)Nc1ccc(Cl)c(C#N)n1
InChIInChI=1S/C10H12ClN3O/c1-10(2,6-15)14-9-4-3-7(11)8(5-12)13-9/h3-4,15H,6H2,1-2H3,(H,13,14)
InChIKeyKPWNMDNKONRAQY-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.79
Rot. Bonds3

About 3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile

3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 133370751) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile
PubChem CID133370751
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)(CO)Nc1ccc(Cl)c(C#N)n1
InChIInChI=1S/C10H12ClN3O/c1-10(2,6-15)14-9-4-3-7(11)8(5-12)13-9/h3-4,15H,6H2,1-2H3,(H,13,14)
InChIKeyKPWNMDNKONRAQY-UHFFFAOYSA-N
XLogP1.79
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile (CID 133370751) is 3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile is CC(C)(CO)Nc1ccc(Cl)c(C#N)n1.
What is the InChIKey of 3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is KPWNMDNKONRAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-10(2,6-15)14-9-4-3-7(11)8(5-12)13-9/h3-4,15H,6H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile?
3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 225.68 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133370751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).