3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile

C11H10ClN3O — CID 107059231

IUPAC3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(=O)CC2)c1Cl
InChIInChI=1S/C11H10ClN3O/c12-10-8(7-13)1-4-14-11(10)15-5-2-9(16)3-6-15/h1,4H,2-3,5-6H2
InChIKeyZOTQMHBCKMMIMO-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.78
Rot. Bonds1

About 3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile

3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile (PubChem CID 107059231) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile
PubChem CID107059231
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(=O)CC2)c1Cl
InChIInChI=1S/C11H10ClN3O/c12-10-8(7-13)1-4-14-11(10)15-5-2-9(16)3-6-15/h1,4H,2-3,5-6H2
InChIKeyZOTQMHBCKMMIMO-UHFFFAOYSA-N
XLogP1.78
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
CID 107057012
3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
CID 107057553
3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile
CID 107058535
3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107057088
N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 107058314
3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107058347
2-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 107056581
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061360
2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile
CID 68756922
2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 107061429
2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061376
3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile
CID 107058682

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile (CID 107059231) is 3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC(=O)CC2)c1Cl.
What is the InChIKey of 3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is ZOTQMHBCKMMIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-10-8(7-13)1-4-14-11(10)15-5-2-9(16)3-6-15/h1,4H,2-3,5-6H2.
What are the key properties of 3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile?
3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 235.67 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 107059231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).