2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile

C12H14ClN3O — CID 106196869

IUPAC2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
SMILESC=C(C)COCCNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C12H14ClN3O/c1-9(2)8-17-4-3-15-12-6-10(7-14)5-11(13)16-12/h5-6H,1,3-4,8H2,2H3,(H,15,16)
InChIKeyMKNOBHZUWAYKJA-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.61
Rot. Bonds6

About 2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile

2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile (PubChem CID 106196869) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
PubChem CID106196869
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
SMILESC=C(C)COCCNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C12H14ClN3O/c1-9(2)8-17-4-3-15-12-6-10(7-14)5-11(13)16-12/h5-6H,1,3-4,8H2,2H3,(H,15,16)
InChIKeyMKNOBHZUWAYKJA-UHFFFAOYSA-N
XLogP2.61
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(6-chloro-4-cyano-2-pyridinyl)amino]ethoxy]acetamide
CID 106240014
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
CID 106196714
2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile
CID 106248382
2-chloro-6-(3-hydroxybutylamino)pyridine-4-carbonitrile
CID 83077171
2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile
CID 106195561
4-chloro-2-[2-(2-methylprop-2-enoxy)ethylamino]benzonitrile
CID 113258178
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-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 83074583
2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile
CID 130839313
2-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 83073946
3,5,6-trichloro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine
CID 106196882

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile (CID 106196869) is 2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile is C=C(C)COCCNc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile?
The InChIKey is MKNOBHZUWAYKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-9(2)8-17-4-3-15-12-6-10(7-14)5-11(13)16-12/h5-6H,1,3-4,8H2,2H3,(H,15,16).
What are the key properties of 2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile?
2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile has a molecular weight of 251.72 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 106196869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).