3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one

C10H13ClN2O — CID 130713067

IUPAC3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cc([C@H]2CCCCN2)cc1Cl
InChIInChI=1S/C10H13ClN2O/c11-8-5-7(6-13-10(8)14)9-3-1-2-4-12-9/h5-6,9,12H,1-4H2,(H,13,14)/t9-/m1/s1
InChIKeyATUNYJOVDUGBGE-SECBINFHSA-N
MW212.68 g/mol
LogP1.84
Rot. Bonds1

About 3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one

3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one (PubChem CID 130713067) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one
PubChem CID130713067
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cc([C@H]2CCCCN2)cc1Cl
InChIInChI=1S/C10H13ClN2O/c11-8-5-7(6-13-10(8)14)9-3-1-2-4-12-9/h5-6,9,12H,1-4H2,(H,13,14)/t9-/m1/s1
InChIKeyATUNYJOVDUGBGE-SECBINFHSA-N
XLogP1.84
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(5-methyl-1H-pyrrol-3-yl)piperidine
CID 92860318
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2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
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2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
3-chloro-2-methyl-5-piperidin-2-ylphenol
CID 84790686
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine
CID 117471203
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
CID 117414258
5-piperidin-2-yl-1H-pyrimidine-2,4-dione
CID 115020167
2-(3-chloro-5-methylphenyl)piperidine
CID 84781097

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one (CID 130713067) is 3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one is O=c1[nH]cc([C@H]2CCCCN2)cc1Cl.
What is the InChIKey of 3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one?
The InChIKey is ATUNYJOVDUGBGE-SECBINFHSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-8-5-7(6-13-10(8)14)9-3-1-2-4-12-9/h5-6,9,12H,1-4H2,(H,13,14)/t9-/m1/s1.
What are the key properties of 3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one?
3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one has a molecular weight of 212.68 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2R)-piperidin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 130713067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).