(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone

C11H13ClN2O — CID 63394911

IUPAC(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCC(Cl)C2)n1
InChIInChI=1S/C11H13ClN2O/c1-8-3-2-4-10(13-8)11(15)14-6-5-9(12)7-14/h2-4,9H,5-7H2,1H3
InChIKeyLWMMAZFAXWHKOT-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.84
Rot. Bonds1

About (3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone

(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone (PubChem CID 63394911) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
PubChem CID63394911
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCC(Cl)C2)n1
InChIInChI=1S/C11H13ClN2O/c1-8-3-2-4-10(13-8)11(15)14-6-5-9(12)7-14/h2-4,9H,5-7H2,1H3
InChIKeyLWMMAZFAXWHKOT-UHFFFAOYSA-N
XLogP1.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017
[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80666813
(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 81458540
[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 106838767
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
1-(6-methylpyridine-2-carbonyl)piperidin-4-one
CID 24708249
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
(6-methyl-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 127380279
[4-(ethylamino)-3-methylpiperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 114498442
(6-methyl-2-pyridinyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110462510

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of (3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone (CID 63394911) is (3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for (3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCC(Cl)C2)n1.
What is the InChIKey of (3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
The InChIKey is LWMMAZFAXWHKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-8-3-2-4-10(13-8)11(15)14-6-5-9(12)7-14/h2-4,9H,5-7H2,1H3.
What are the key properties of (3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone has a molecular weight of 224.69 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 63394911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).