2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile

C13H12ClN3S — CID 83076437

IUPAC2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCCc1ccsc1CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H12ClN3S/c1-2-10-3-4-18-11(10)8-16-13-6-9(7-15)5-12(14)17-13/h3-6H,2,8H2,1H3,(H,16,17)
InChIKeyMUCZJJQDEWLNHH-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.84
Rot. Bonds4

About 2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile

2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 83076437) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile
PubChem CID83076437
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCCc1ccsc1CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H12ClN3S/c1-2-10-3-4-18-11(10)8-16-13-6-9(7-15)5-12(14)17-13/h3-6H,2,8H2,1H3,(H,16,17)
InChIKeyMUCZJJQDEWLNHH-UHFFFAOYSA-N
XLogP3.84
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile
CID 83076266
6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80945762
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 107544856
2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile
CID 83076516
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 106192881
4-N-[(3-ethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80855130
4-[(3-ethylthiophen-2-yl)methylamino]-2-fluorobenzonitrile
CID 115367671
ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate
CID 83074601
3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383582
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80926174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile (CID 83076437) is 2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile is CCc1ccsc1CNc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is MUCZJJQDEWLNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-2-10-3-4-18-11(10)8-16-13-6-9(7-15)5-12(14)17-13/h3-6H,2,8H2,1H3,(H,16,17).
What are the key properties of 2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile?
2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 277.78 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83076437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).