2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile

C10H12ClN3O2 — CID 83076925

IUPAC2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
SMILESCC(O)(CO)CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C10H12ClN3O2/c1-10(16,6-15)5-13-9-3-7(4-12)2-8(11)14-9/h2-3,15-16H,5-6H2,1H3,(H,13,14)
InChIKeySBIKXGPWIMOCAM-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.76
Rot. Bonds4

About 2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile

2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile (PubChem CID 83076925) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
PubChem CID83076925
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
SMILESCC(O)(CO)CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C10H12ClN3O2/c1-10(16,6-15)5-13-9-3-7(4-12)2-8(11)14-9/h2-3,15-16H,5-6H2,1H3,(H,13,14)
InChIKeySBIKXGPWIMOCAM-UHFFFAOYSA-N
XLogP0.76
TPSA89.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile (CID 83076925) is 2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile is CC(O)(CO)CNc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile?
The InChIKey is SBIKXGPWIMOCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-10(16,6-15)5-13-9-3-7(4-12)2-8(11)14-9/h2-3,15-16H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile?
2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile has a molecular weight of 241.68 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83076925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).