(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone

C11H12Cl2N2O — CID 114917342

IUPAC(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-7-3-2-4-15(7)11(16)8-5-10(13)14-6-9(8)12/h5-7H,2-4H2,1H3
InChIKeyDBUXYUWAMOOKFI-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.01
Rot. Bonds1

About (2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone

(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 114917342) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID114917342
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-7-3-2-4-15(7)11(16)8-5-10(13)14-6-9(8)12/h5-7H,2-4H2,1H3
InChIKeyDBUXYUWAMOOKFI-UHFFFAOYSA-N
XLogP3.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.01
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

[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 114921368
ethyl 1-(2,5-dichloropyridine-4-carbonyl)pyrrolidine-2-carboxylate
CID 114918292
(2-chloro-5-nitro-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 103730785
(2,5-dichloro-4-pyridinyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 114918674
(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 114917004
(2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone
CID 172648288
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114918451
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114917996
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114918468
(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60975104

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone (CID 114917342) is (2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is DBUXYUWAMOOKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-7-3-2-4-15(7)11(16)8-5-10(13)14-6-9(8)12/h5-7H,2-4H2,1H3.
What are the key properties of (2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone?
(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 259.14 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 114917342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).