methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate

C18H19FN2O3 — CID 133490158

IUPACmethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2c2cccc(F)c2)nc1OC
InChIInChI=1S/C18H19FN2O3/c1-23-17-14(18(22)24-2)8-9-16(20-17)21-10-4-7-15(21)12-5-3-6-13(19)11-12/h3,5-6,8-9,11,15H,4,7,10H2,1-2H3
InChIKeyBYXPXAHTXWVVLS-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.36
Rot. Bonds4

About methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate

methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate (PubChem CID 133490158) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate
PubChem CID133490158
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Namemethyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2c2cccc(F)c2)nc1OC
InChIInChI=1S/C18H19FN2O3/c1-23-17-14(18(22)24-2)8-9-16(20-17)21-10-4-7-15(21)12-5-3-6-13(19)11-12/h3,5-6,8-9,11,15H,4,7,10H2,1-2H3
InChIKeyBYXPXAHTXWVVLS-UHFFFAOYSA-N
XLogP3.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate
CID 133491968
1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122058782
methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate
CID 133492503
6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146380890
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146388088
N-[5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide
CID 67330159
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 66684546
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-3-carboxamide
CID 154027724
N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide
CID 77178143
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid
CID 156774048
5-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2-carboxylic acid
CID 146380824
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 136578063

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate (CID 133490158) is methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate is COC(=O)c1ccc(N2CCCC2c2cccc(F)c2)nc1OC.
What is the InChIKey of methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate?
The InChIKey is BYXPXAHTXWVVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-23-17-14(18(22)24-2)8-9-16(20-17)21-10-4-7-15(21)12-5-3-6-13(19)11-12/h3,5-6,8-9,11,15H,4,7,10H2,1-2H3.
What are the key properties of methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate?
methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate has a molecular weight of 330.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 133490158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).