(6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone

C12H15ClN2O3 — CID 103532739

IUPAC(6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccc(Cl)nc2)CC1OC
InChIInChI=1S/C12H15ClN2O3/c1-17-9-6-15(7-10(9)18-2)12(16)8-3-4-11(13)14-5-8/h3-5,9-10H,6-7H2,1-2H3
InChIKeyYQHKGIRCKHVTGH-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.22
Rot. Bonds3

About (6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone

(6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone (PubChem CID 103532739) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
PubChem CID103532739
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name(6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccc(Cl)nc2)CC1OC
InChIInChI=1S/C12H15ClN2O3/c1-17-9-6-15(7-10(9)18-2)12(16)8-3-4-11(13)14-5-8/h3-5,9-10H,6-7H2,1-2H3
InChIKeyYQHKGIRCKHVTGH-UHFFFAOYSA-N
XLogP1.22
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone
CID 162440321
(6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106950
(3S,4S)-1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085428
1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722081
(6-chloro-3-pyridinyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 131069080
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
(6-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611722
(2-amino-6-chloro-4-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103538513
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
(6-chloro-3-pyridinyl)-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methanone
CID 134062230
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone (CID 103532739) is (6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone is COC1CN(C(=O)c2ccc(Cl)nc2)CC1OC.
What is the InChIKey of (6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone?
The InChIKey is YQHKGIRCKHVTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-17-9-6-15(7-10(9)18-2)12(16)8-3-4-11(13)14-5-8/h3-5,9-10H,6-7H2,1-2H3.
What are the key properties of (6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone?
(6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone has a molecular weight of 270.72 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 103532739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).