3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol

C70H102ClF7N12O8 — CID 158514595

IUPAC3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol
SMILESC.C.C.CCOC(=O)c1cccnc1F.CCOC(=O)c1cccnc1N1CC[C@@H](F)C1.CO.COCc1cccnc1N1CC[C@@H](F)C1.COCc1cccnc1N1CC[C@@H](F)C1.F[C@@H]1CCN(c2ncccc2CCl)C1.F[C@@H]1CCNC1.OCc1cccnc1N1CC[C@@H](F)C1
InChIInChI=1S/C12H15FN2O2.2C11H15FN2O.C10H12ClFN2.C10H13FN2O.C8H8FNO2.C4H8FN.CH4O.3CH4/c1-2-17-12(16)10-4-3-6-14-11(10)15-7-5-9(13)8-15;2*1-15-8-9-3-2-5-13-11(9)14-6-4-10(12)7-14;11-6-8-2-1-4-13-10(8)14-5-3-9(12)7-14;11-9-3-5-13(6-9)10-8(7-14)2-1-4-12-10;1-2-12-8(11)6-4-3-5-10-7(6)9;5-4-1-2-6-3-4;1-2;;;/h3-4,6,9H,2,5,7-8H2,1H3;2*2-3,5,10H,4,6-8H2,1H3;1-2,4,9H,3,5-7H2;1-2,4,9,14H,3,5-7H2;3-5H,2H2,1H3;4,6H,1-3H2;2H,1H3;3*1H4/t9-;2*10-;2*9-;;4-;;;;/m11111.1..../s1
InChIKeyHLMAAISKTKPESY-DMHVPRFPSA-N
MW1408.10 g/mol
LogP12.08
Rot. Bonds15

About 3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol

3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol (PubChem CID 158514595) has the molecular formula C70H102ClF7N12O8 and a molecular weight of 1408.10 g/mol. Its IUPAC name is 3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol.

Molecular Properties

Compound Name3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol
PubChem CID158514595
Molecular FormulaC70H102ClF7N12O8
Molecular Weight1408.10 g/mol
Exact Mass1406.75
IUPAC Name3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol
SMILESC.C.C.CCOC(=O)c1cccnc1F.CCOC(=O)c1cccnc1N1CC[C@@H](F)C1.CO.COCc1cccnc1N1CC[C@@H](F)C1.COCc1cccnc1N1CC[C@@H](F)C1.F[C@@H]1CCN(c2ncccc2CCl)C1.F[C@@H]1CCNC1.OCc1cccnc1N1CC[C@@H](F)C1
InChIInChI=1S/C12H15FN2O2.2C11H15FN2O.C10H12ClFN2.C10H13FN2O.C8H8FNO2.C4H8FN.CH4O.3CH4/c1-2-17-12(16)10-4-3-6-14-11(10)15-7-5-9(13)8-15;2*1-15-8-9-3-2-5-13-11(9)14-6-4-10(12)7-14;11-6-8-2-1-4-13-10(8)14-5-3-9(12)7-14;11-9-3-5-13(6-9)10-8(7-14)2-1-4-12-10;1-2-12-8(11)6-4-3-5-10-7(6)9;5-4-1-2-6-3-4;1-2;;;/h3-4,6,9H,2,5,7-8H2,1H3;2*2-3,5,10H,4,6-8H2,1H3;1-2,4,9H,3,5-7H2;1-2,4,9,14H,3,5-7H2;3-5H,2H2,1H3;4,6H,1-3H2;2H,1H3;3*1H4/t9-;2*10-;2*9-;;4-;;;;/m11111.1..../s1
InChIKeyHLMAAISKTKPESY-DMHVPRFPSA-N
XLogP12.08
TPSA217.09 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001408.10
LogP ≤ 512.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol with MolForge

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Related Compounds

CID 159341181
CID 159341181
2-[(2S)-2-ethylpyrrolidin-1-yl]pyridine-3-carboxylic acid;2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-3-carboxylic acid;2-[(3R)-3-ethylpyrrolidin-1-yl]pyridine-3-carboxylic acid;2-[(3S)-3-ethylpyrrolidin-1-yl]pyridine-3-carboxylic acid;2-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid;2-[(3S)-3-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 157989749
tert-butyl N-(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)carbamate;5-fluoro-6-pyrazol-1-ylpyridin-3-amine;5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylic acid;methyl 2-chloro-5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-pyrazol-1-ylpyridine-3-carboxylate
CID 160911760
3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;3-(ethoxymethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol
CID 161708460
sodium;6-(6-azaspiro[3.4]octan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]-6-azaspiro[3.4]octane-6-carboxylate;tert-butyl 2-[(5-methoxycarbonyl-2-pyridinyl)amino]-6-azaspiro[3.4]octane-6-carboxylate;N',N'-dimethylethane-1,2-diamine;methane;methyl 6-fluoropyridine-3-carboxylate;6-[[6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octan-2-yl]amino]pyridine-3-carboxylic acid;hydroxide
CID 165068567

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol?
The IUPAC name of 3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol (CID 158514595) is 3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol.
What is the SMILES notation for 3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol?
The canonical SMILES for 3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol is C.C.C.CCOC(=O)c1cccnc1F.CCOC(=O)c1cccnc1N1CC[C@@H](F)C1.CO.COCc1cccnc1N1CC[C@@H](F)C1.COCc1cccnc1N1CC[C@@H](F)C1.F[C@@H]1CCN(c2ncccc2CCl)C1.F[C@@H]1CCNC1.OCc1cccnc1N1CC[C@@H](F)C1.
What is the InChIKey of 3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol?
The InChIKey is HLMAAISKTKPESY-DMHVPRFPSA-N. The full InChI is InChI=1S/C12H15FN2O2.2C11H15FN2O.C10H12ClFN2.C10H13FN2O.C8H8FNO2.C4H8FN.CH4O.3CH4/c1-2-17-12(16)10-4-3-6-14-11(10)15-7-5-9(13)8-15;2*1-15-8-9-3-2-5-13-11(9)14-6-4-10(12)7-14;11-6-8-2-1-4-13-10(8)14-5-3-9(12)7-14;11-9-3-5-13(6-9)10-8(7-14)2-1-4-12-10;1-2-12-8(11)6-4-3-5-10-7(6)9;5-4-1-2-6-3-4;1-2;;;/h3-4,6,9H,2,5,7-8H2,1H3;2*2-3,5,10H,4,6-8H2,1H3;1-2,4,9H,3,5-7H2;1-2,4,9,14H,3,5-7H2;3-5H,2H2,1H3;4,6H,1-3H2;2H,1H3;3*1H4/t9-;2*10-;2*9-;;4-;;;;/m11111.1..../s1.
What are the key properties of 3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol?
3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol has a molecular weight of 1408.10 g/mol, XLogP of 12.08, 15 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine;ethyl 2-fluoropyridine-3-carboxylate;ethyl 2-[(3R)-3-fluoropyrrolidin-1-yl]pyridine-3-carboxylate;(3R)-3-fluoropyrrolidine;bis(2-[(3R)-3-fluoropyrrolidin-1-yl]-3-(methoxymethyl)pyridine);[2-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methanol;methane;methanol is sourced from PubChem (CID 158514595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).