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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Related Compounds

2-chloro-6-[(2-hydroxy-2,4-dimethylpentyl)amino]pyridine-4-carbonitrile
CID 83076843
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
CID 106196714
2-chloro-6-(3-methylbut-2-enylamino)pyridine-4-carbonitrile
CID 106197214
2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile
CID 107854040
2-chloro-6-(3-hydroxybutylamino)pyridine-4-carbonitrile
CID 83077171
ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate
CID 83074601
2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile
CID 164646266
2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile
CID 106195561
3-[(6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 66171465
4-chloro-2-[(2,3-dihydroxy-2-methylpropyl)amino]benzonitrile
CID 66170546
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 83076259

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).