(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

C13H17ClN2O — CID 83137505

IUPAC(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H17ClN2O/c1-3-10-8-7-9(2)16(10)13(17)11-5-4-6-12(14)15-11/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyBMKKOHXLPXGGMI-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.14
Rot. Bonds2

About (6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 83137505) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID83137505
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H17ClN2O/c1-3-10-8-7-9(2)16(10)13(17)11-5-4-6-12(14)15-11/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyBMKKOHXLPXGGMI-UHFFFAOYSA-N
XLogP3.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 83174368
(6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 106551631
(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83135395
(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83217631
(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83221125
(2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83226850
3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791784
(6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112695912
[(2R)-1-(6-chloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl carbamate
CID 175396178
3-(6-chloropyridine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792745
5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)furan-2-carboxylic acid
CID 83220072
(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376681

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 83137505) is (6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCC1CCC(C)N1C(=O)c1cccc(Cl)n1.
What is the InChIKey of (6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is BMKKOHXLPXGGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-3-10-8-7-9(2)16(10)13(17)11-5-4-6-12(14)15-11/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of (6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone has a molecular weight of 252.74 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 83137505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).