4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile

C12H10ClN3S — CID 55209675

IUPAC4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESCC(Nc1ccnc(C#N)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClN3S/c1-8(11-2-3-12(13)17-11)16-9-4-5-15-10(6-9)7-14/h2-6,8H,1H3,(H,15,16)
InChIKeyXTMKJTLZHGZZAZ-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.84
Rot. Bonds3

About 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile

4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 55209675) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID55209675
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESCC(Nc1ccnc(C#N)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClN3S/c1-8(11-2-3-12(13)17-11)16-9-4-5-15-10(6-9)7-14/h2-6,8H,1H3,(H,15,16)
InChIKeyXTMKJTLZHGZZAZ-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 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile (CID 55209675) is 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile is CC(Nc1ccnc(C#N)c1)c1ccc(Cl)s1.
What is the InChIKey of 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is XTMKJTLZHGZZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c1-8(11-2-3-12(13)17-11)16-9-4-5-15-10(6-9)7-14/h2-6,8H,1H3,(H,15,16).
What are the key properties of 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile?
4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-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 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 55209675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).