2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile

C10H10ClN3 — CID 106196714

IUPAC2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
SMILESC=C(C)CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C10H10ClN3/c1-7(2)6-13-10-4-8(5-12)3-9(11)14-10/h3-4H,1,6H2,2H3,(H,13,14)
InChIKeyBOVPILJKNUFTDL-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile

2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile (PubChem CID 106196714) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
PubChem CID106196714
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
SMILESC=C(C)CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C10H10ClN3/c1-7(2)6-13-10-4-8(5-12)3-9(11)14-10/h3-4H,1,6H2,2H3,(H,13,14)
InChIKeyBOVPILJKNUFTDL-UHFFFAOYSA-N
XLogP2.59
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile
CID 106195561
2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 106196869
2-chloro-6-(3-methylbut-2-enylamino)pyridine-4-carbonitrile
CID 106197214
ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate
CID 83074601
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617465
2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 83076925
2-chloro-6-(3-hydroxybutylamino)pyridine-4-carbonitrile
CID 83077171
2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile
CID 164646266
2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile
CID 107854040
6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 104952861
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-methylprop-2-enylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile (CID 106196714) is 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile is C=C(C)CNc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile?
The InChIKey is BOVPILJKNUFTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-7(2)6-13-10-4-8(5-12)3-9(11)14-10/h3-4H,1,6H2,2H3,(H,13,14).
What are the key properties of 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile?
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile has a molecular weight of 207.66 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 106196714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).