2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile

C12H10ClN3S — CID 83076667

IUPAC2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile
SMILESCC(Nc1cc(C#N)cc(Cl)n1)c1ccsc1
InChIInChI=1S/C12H10ClN3S/c1-8(10-2-3-17-7-10)15-12-5-9(6-14)4-11(13)16-12/h2-5,7-8H,1H3,(H,15,16)
InChIKeyLNDUQBGWQVLXOK-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.84
Rot. Bonds3

About 2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile

2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile (PubChem CID 83076667) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile
PubChem CID83076667
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile
SMILESCC(Nc1cc(C#N)cc(Cl)n1)c1ccsc1
InChIInChI=1S/C12H10ClN3S/c1-8(10-2-3-17-7-10)15-12-5-9(6-14)4-11(13)16-12/h2-5,7-8H,1H3,(H,15,16)
InChIKeyLNDUQBGWQVLXOK-UHFFFAOYSA-N
XLogP3.84
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
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-chloro-6-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83074609
2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83073840
2-chloro-6-[1-(3-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83072975
2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile
CID 83072667
2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile
CID 83077497
2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
CID 83072944
2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83074490
4,6-dimethyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbonitrile
CID 62840867
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
CID 83072956
2-propan-2-yl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80957246
2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80824404
2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
CID 83073416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile (CID 83076667) is 2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile is CC(Nc1cc(C#N)cc(Cl)n1)c1ccsc1.
What is the InChIKey of 2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile?
The InChIKey is LNDUQBGWQVLXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c1-8(10-2-3-17-7-10)15-12-5-9(6-14)4-11(13)16-12/h2-5,7-8H,1H3,(H,15,16).
What are the key properties of 2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile?
2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile has a molecular weight of 263.75 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 83076667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).