3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile

C16H14Cl2N4 — CID 133282877

IUPAC3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1Cl
InChIInChI=1S/C16H14Cl2N4/c17-12-2-1-3-13(10-12)21-6-8-22(9-7-21)16-5-4-14(18)15(11-19)20-16/h1-5,10H,6-9H2
InChIKeyHDVYDCWHRYGBGE-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.59
Rot. Bonds2

About 3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile

3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 133282877) has the molecular formula C16H14Cl2N4 and a molecular weight of 333.22 g/mol. Its IUPAC name is 3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID133282877
Molecular FormulaC16H14Cl2N4
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1Cl
InChIInChI=1S/C16H14Cl2N4/c17-12-2-1-3-13(10-12)21-6-8-22(9-7-21)16-5-4-14(18)15(11-19)20-16/h1-5,10H,6-9H2
InChIKeyHDVYDCWHRYGBGE-UHFFFAOYSA-N
XLogP3.59
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 34309417
1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 63960873
3-chloro-6-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 56584208
3-chloro-6-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 56584036
methyl 2-[4-(5-chloro-6-cyano-2-pyridinyl)piperazin-1-yl]acetate
CID 133333896
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 133323340
3-chloro-6-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 133322524
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 127430193
3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
CID 61256997

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile (CID 133282877) is 3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile is N#Cc1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is HDVYDCWHRYGBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4/c17-12-2-1-3-13(10-12)21-6-8-22(9-7-21)16-5-4-14(18)15(11-19)20-16/h1-5,10H,6-9H2.
What are the key properties of 3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile?
3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 333.22 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133282877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).