6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile

C12H10ClN3S — CID 55025215

IUPAC6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)cn1)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClN3S/c1-8(10-3-4-11(13)17-10)16-12-5-2-9(6-14)7-15-12/h2-5,7-8H,1H3,(H,15,16)
InChIKeyDPXKIVSQNPGFPV-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.84
Rot. Bonds3

About 6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile

6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 55025215) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID55025215
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)cn1)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClN3S/c1-8(10-3-4-11(13)17-10)16-12-5-2-9(6-14)7-15-12/h2-5,7-8H,1H3,(H,15,16)
InChIKeyDPXKIVSQNPGFPV-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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile (CID 55025215) is 6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile is CC(Nc1ccc(C#N)cn1)c1ccc(Cl)s1.
What is the InChIKey of 6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is DPXKIVSQNPGFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c1-8(10-3-4-11(13)17-10)16-12-5-2-9(6-14)7-15-12/h2-5,7-8H,1H3,(H,15,16).
What are the key properties of 6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile?
6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-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 6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 55025215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).