2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile

C12H10ClN3S — CID 83074490

IUPAC2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCCc2ccsc2)c1
InChIInChI=1S/C12H10ClN3S/c13-11-5-10(7-14)6-12(16-11)15-3-1-9-2-4-17-8-9/h2,4-6,8H,1,3H2,(H,15,16)
InChIKeyWEORANJWTKUDAF-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.32
Rot. Bonds4

About 2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile

2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile (PubChem CID 83074490) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile
PubChem CID83074490
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCCc2ccsc2)c1
InChIInChI=1S/C12H10ClN3S/c13-11-5-10(7-14)6-12(16-11)15-3-1-9-2-4-17-8-9/h2,4-6,8H,1,3H2,(H,15,16)
InChIKeyWEORANJWTKUDAF-UHFFFAOYSA-N
XLogP3.32
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.32
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

6-chloro-N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715638
2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 83074583
6-nitro-2-(2-thiophen-3-ylethylamino)quinoline-4-carbonitrile
CID 133310476
2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile
CID 83072800
2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile
CID 130839313
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
2-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 83073946
3-chloro-N-(2-thiophen-3-ylethyl)-1,2,4-triazin-5-amine
CID 115000535
2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83076667
4-nitro-3-(2-thiophen-3-ylethylamino)benzonitrile
CID 104713559
2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile
CID 107854040
6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80935379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile (CID 83074490) is 2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(NCCc2ccsc2)c1.
What is the InChIKey of 2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile?
The InChIKey is WEORANJWTKUDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c13-11-5-10(7-14)6-12(16-11)15-3-1-9-2-4-17-8-9/h2,4-6,8H,1,3H2,(H,15,16).
What are the key properties of 2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile?
2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile has a molecular weight of 263.75 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 83074490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).