(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone

C11H13ClN2O — CID 61226414

IUPAC(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccnc2Cl)C1
InChIInChI=1S/C11H13ClN2O/c1-8-4-6-14(7-8)11(15)9-3-2-5-13-10(9)12/h2-3,5,8H,4,6-7H2,1H3
InChIKeyMFVIRLRQVVIYPW-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.22
Rot. Bonds1

About (2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone

(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 61226414) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID61226414
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccnc2Cl)C1
InChIInChI=1S/C11H13ClN2O/c1-8-4-6-14(7-8)11(15)9-3-2-5-13-10(9)12/h2-3,5,8H,4,6-7H2,1H3
InChIKeyMFVIRLRQVVIYPW-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71643927
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
(2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone
CID 119054617
(2-chloro-3-pyridinyl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 97169687
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-chloro-3-pyridinyl)methanone
CID 61051246
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone (CID 61226414) is (2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2cccnc2Cl)C1.
What is the InChIKey of (2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is MFVIRLRQVVIYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-8-4-6-14(7-8)11(15)9-3-2-5-13-10(9)12/h2-3,5,8H,4,6-7H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone?
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 224.69 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61226414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).