2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine

C10H13ClN2O — CID 131072200

IUPAC2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
SMILESCOc1cc(Cl)ncc1[C@H]1CCCN1
InChIInChI=1S/C10H13ClN2O/c1-14-9-5-10(11)13-6-7(9)8-3-2-4-12-8/h5-6,8,12H,2-4H2,1H3/t8-/m1/s1
InChIKeyGPSLHYFFKCXODE-MRVPVSSYSA-N
MW212.68 g/mol
LogP2.17
Rot. Bonds2

About 2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine

2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine (PubChem CID 131072200) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
PubChem CID131072200
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
SMILESCOc1cc(Cl)ncc1[C@H]1CCCN1
InChIInChI=1S/C10H13ClN2O/c1-14-9-5-10(11)13-6-7(9)8-3-2-4-12-8/h5-6,8,12H,2-4H2,1H3/t8-/m1/s1
InChIKeyGPSLHYFFKCXODE-MRVPVSSYSA-N
XLogP2.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.17
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

2,4-dichloro-5-[(2R)-piperidin-2-yl]pyridine
CID 130788142
2-chloro-5-[(2R)-piperidin-2-yl]pyridin-4-amine
CID 130783796
5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66519127
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine (CID 131072200) is 2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine is COc1cc(Cl)ncc1[C@H]1CCCN1.
What is the InChIKey of 2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine?
The InChIKey is GPSLHYFFKCXODE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-14-9-5-10(11)13-6-7(9)8-3-2-4-12-8/h5-6,8,12H,2-4H2,1H3/t8-/m1/s1.
What are the key properties of 2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine?
2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine has a molecular weight of 212.68 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 131072200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).