3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride

C14H11Cl2NO — CID 21355676

IUPAC3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncccc1CCc1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2NO/c15-12-5-1-3-10(9-12)6-7-11-4-2-8-17-13(11)14(16)18/h1-5,8-9H,6-7H2
InChIKeyFFRUELMIARAFKW-UHFFFAOYSA-N
MW280.15 g/mol
LogP3.90
Rot. Bonds4

About 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride

3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride (PubChem CID 21355676) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride
PubChem CID21355676
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncccc1CCc1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2NO/c15-12-5-1-3-10(9-12)6-7-11-4-2-8-17-13(11)14(16)18/h1-5,8-9H,6-7H2
InChIKeyFFRUELMIARAFKW-UHFFFAOYSA-N
XLogP3.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-[2-(3-chlorophenyl)ethyl]pyridine-2-carboxamide;N-tert-butyl-3-methylpyridine-2-carboxamide
CID 159745684
N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 18338468
13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one;3-[2-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide;hydrobromide
CID 159619713
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile;[3-[2-(3-methylphenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone
CID 157474391
3-[2-(3-chlorophenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 53271007
(3-chlorophenyl) 3-(hydroxymethyl)pyridine-2-carboxylate
CID 175032334
N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide
CID 14716816
3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741524
3-(3-chlorophenyl)propanoate
CID 6946708
N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 129316266
3-[2-(3-chlorophenyl)ethyl]-2-(1-methylpiperidin-2-yl)pyridine
CID 23223752

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride?
The IUPAC name of 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride (CID 21355676) is 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride is O=C(Cl)c1ncccc1CCc1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride?
The InChIKey is FFRUELMIARAFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-12-5-1-3-10(9-12)6-7-11-4-2-8-17-13(11)14(16)18/h1-5,8-9H,6-7H2.
What are the key properties of 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride?
3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride has a molecular weight of 280.15 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonyl chloride is sourced from PubChem (CID 21355676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).