(3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone

C16H14Cl2N2O — CID 30417532

IUPAC(3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1nc(Cl)ccc1Cl)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C16H14Cl2N2O/c17-12-8-9-14(18)19-15(12)16(21)20-10-4-7-13(20)11-5-2-1-3-6-11/h1-3,5-6,8-9,13H,4,7,10H2/t13-/m1/s1
InChIKeyFFYLBJYWPZLJNQ-CYBMUJFWSA-N
MW321.21 g/mol
LogP4.37
Rot. Bonds2

About (3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone

(3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone (PubChem CID 30417532) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is (3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
PubChem CID30417532
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name(3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1nc(Cl)ccc1Cl)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C16H14Cl2N2O/c17-12-8-9-14(18)19-15(12)16(21)20-10-4-7-13(20)11-5-2-1-3-6-11/h1-3,5-6,8-9,13H,4,7,10H2/t13-/m1/s1
InChIKeyFFYLBJYWPZLJNQ-CYBMUJFWSA-N
XLogP4.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.37
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

(3,6-dichloro-2-pyridinyl)-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 34608733
(3,6-dichloro-2-pyridinyl)-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31797521
(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 55731293
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone
CID 94468049
(3-chloro-2-pyridinyl)-[2-(4-ethynylphenyl)pyrrolidin-1-yl]methanone
CID 155961901
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 24658232
(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 115497092
1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one
CID 43041687
(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43048100
[6-(2-chlorophenyl)-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone
CID 58211141
(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 43179258

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of (3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone (CID 30417532) is (3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone is O=C(c1nc(Cl)ccc1Cl)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of (3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
The InChIKey is FFYLBJYWPZLJNQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-12-8-9-14(18)19-15(12)16(21)20-10-4-7-13(20)11-5-2-1-3-6-11/h1-3,5-6,8-9,13H,4,7,10H2/t13-/m1/s1.
What are the key properties of (3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone?
(3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone has a molecular weight of 321.21 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 30417532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).