(2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C12H15ClN2O2 — CID 107877627

IUPAC(2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CC[C@H](O)C2)cc(Cl)n1
InChIInChI=1S/C12H15ClN2O2/c1-2-9-5-8(6-11(13)14-9)12(17)15-4-3-10(16)7-15/h5-6,10,16H,2-4,7H2,1H3/t10-/m0/s1
InChIKeyTVQHUMSURQKWKG-JTQLQIEISA-N
MW254.72 g/mol
LogP1.50
Rot. Bonds2

About (2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

(2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 107877627) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID107877627
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CC[C@H](O)C2)cc(Cl)n1
InChIInChI=1S/C12H15ClN2O2/c1-2-9-5-8(6-11(13)14-9)12(17)15-4-3-10(16)7-15/h5-6,10,16H,2-4,7H2,1H3/t10-/m0/s1
InChIKeyTVQHUMSURQKWKG-JTQLQIEISA-N
XLogP1.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561849
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 113378343
(2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 113379995
(2-amino-6-ethyl-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964772
(2-chloro-6-propyl-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668684
(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63165448
(3-bromo-5-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103827075
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 113379780
(3-tert-butylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
CID 113415062
(2-chloro-6-ethyl-4-pyridinyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114408661

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 107877627) is (2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is CCc1cc(C(=O)N2CC[C@H](O)C2)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is TVQHUMSURQKWKG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-2-9-5-8(6-11(13)14-9)12(17)15-4-3-10(16)7-15/h5-6,10,16H,2-4,7H2,1H3/t10-/m0/s1.
What are the key properties of (2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 254.72 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 107877627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).