methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate

C17H17ClN2O2 — CID 129391696

IUPACmethyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)cnc1N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-22-17(21)14-10-13(18)11-19-16(14)20-9-5-8-15(20)12-6-3-2-4-7-12/h2-4,6-7,10-11,15H,5,8-9H2,1H3/t15-/m0/s1
InChIKeyPRMUNGBSOQVRSW-HNNXBMFYSA-N
MW316.79 g/mol
LogP3.86
Rot. Bonds3

About methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate

methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate (PubChem CID 129391696) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate
PubChem CID129391696
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Namemethyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)cnc1N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-22-17(21)14-10-13(18)11-19-16(14)20-9-5-8-15(20)12-6-3-2-4-7-12/h2-4,6-7,10-11,15H,5,8-9H2,1H3/t15-/m0/s1
InChIKeyPRMUNGBSOQVRSW-HNNXBMFYSA-N
XLogP3.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(2-phenylpyrrolidin-1-yl)pyridin-3-amine
CID 66279518
5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine
CID 112697443
methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 118263623
5-chloro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 56814395
5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 94124833
methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate
CID 67958741
1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid
CID 107070379
methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate
CID 133490158
(2,5-dichlorophenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 42934940
2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 62000482
methyl 4-[4-(3-amino-5-chloro-2-pyridinyl)-3-(4-chlorophenyl)piperazine-1-carbonyl]benzoate
CID 166034032
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 154794501

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate (CID 129391696) is methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cc(Cl)cnc1N1CCC[C@H]1c1ccccc1.
What is the InChIKey of methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate?
The InChIKey is PRMUNGBSOQVRSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-22-17(21)14-10-13(18)11-19-16(14)20-9-5-8-15(20)12-6-3-2-4-7-12/h2-4,6-7,10-11,15H,5,8-9H2,1H3/t15-/m0/s1.
What are the key properties of methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate?
methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate has a molecular weight of 316.79 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 129391696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).