4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride

C11H10Cl2N2O2 — CID 101420002

IUPAC4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride
SMILESO=C(Cl)c1cc(N2CCCC2)cc(C(=O)Cl)n1
InChIInChI=1S/C11H10Cl2N2O2/c12-10(16)8-5-7(15-3-1-2-4-15)6-9(14-8)11(13)17/h5-6H,1-4H2
InChIKeyIHQYCSYXINKYCK-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.44
Rot. Bonds3

About 4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride

4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride (PubChem CID 101420002) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride.

Molecular Properties

Compound Name4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride
PubChem CID101420002
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride
SMILESO=C(Cl)c1cc(N2CCCC2)cc(C(=O)Cl)n1
InChIInChI=1S/C11H10Cl2N2O2/c12-10(16)8-5-7(15-3-1-2-4-15)6-9(14-8)11(13)17/h5-6H,1-4H2
InChIKeyIHQYCSYXINKYCK-UHFFFAOYSA-N
XLogP2.44
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate
CID 138673928
2-N,6-N-dimethyl-4-piperidin-1-ylpyridine-2,6-dicarboxamide
CID 13235645
3-fluoro-5-pyrrolidin-1-ylbenzoyl chloride
CID 87841147
5-(azepan-1-yl)benzene-1,3-dicarboxylic acid
CID 79694523
1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone
CID 168514235
2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
CID 66490570
6-pyrrolidin-1-ylquinoline-2-carboxylic acid
CID 82243885
1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione
CID 143079234
3,5-di(piperidin-1-yl)phenol
CID 16638574
6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid
CID 83852710
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride?
The IUPAC name of 4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride (CID 101420002) is 4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride.
What is the SMILES notation for 4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride?
The canonical SMILES for 4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride is O=C(Cl)c1cc(N2CCCC2)cc(C(=O)Cl)n1.
What is the InChIKey of 4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride?
The InChIKey is IHQYCSYXINKYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c12-10(16)8-5-7(15-3-1-2-4-15)6-9(14-8)11(13)17/h5-6H,1-4H2.
What are the key properties of 4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride?
4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride has a molecular weight of 273.12 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride is sourced from PubChem (CID 101420002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).