2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile

C11H10Cl3N3 — CID 831337

IUPAC2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1c(Cl)nc(N2CCCCC2)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl3N3/c12-8-7(6-15)10(14)16-11(9(8)13)17-4-2-1-3-5-17/h1-5H2
InChIKeyDOAHKOVGHRZDDY-UHFFFAOYSA-N
MW290.58 g/mol
LogP3.90
Rot. Bonds1

About 2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile

2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile (PubChem CID 831337) has the molecular formula C11H10Cl3N3 and a molecular weight of 290.58 g/mol. Its IUPAC name is 2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile
PubChem CID831337
Molecular FormulaC11H10Cl3N3
Molecular Weight290.58 g/mol
Exact Mass288.99
IUPAC Name2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1c(Cl)nc(N2CCCCC2)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl3N3/c12-8-7(6-15)10(14)16-11(9(8)13)17-4-2-1-3-5-17/h1-5H2
InChIKeyDOAHKOVGHRZDDY-UHFFFAOYSA-N
XLogP3.90
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.58
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trichloropyridine-3,5-dicarbonitrile
CID 15206362
2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile
CID 167090091
6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 175758727
4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile
CID 90436574
4-(azocan-1-yl)-6-chloropyrimidin-5-amine
CID 62663067
3-chloro-7-cyclohexyl-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 3249876
4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine
CID 23766927
2-amino-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile
CID 135451994
5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 71698524
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
5-amino-6-pyrrolidin-1-ylpyrazine-2,3-dicarbonitrile
CID 10488806
2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
CID 170319407

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile (CID 831337) is 2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile is N#Cc1c(Cl)nc(N2CCCCC2)c(Cl)c1Cl.
What is the InChIKey of 2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile?
The InChIKey is DOAHKOVGHRZDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3N3/c12-8-7(6-15)10(14)16-11(9(8)13)17-4-2-1-3-5-17/h1-5H2.
What are the key properties of 2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile?
2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile has a molecular weight of 290.58 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-6-piperidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 831337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).