[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C17H17FN2O2 — CID 74242509

IUPAC[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(F)cc1-c1ncccc1C(=O)N1CCCC1
InChIInChI=1S/C17H17FN2O2/c1-22-15-7-6-12(18)11-14(15)16-13(5-4-8-19-16)17(21)20-9-2-3-10-20/h4-8,11H,2-3,9-10H2,1H3
InChIKeyDRHGUNTUZYUGFJ-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.13
Rot. Bonds3

About [2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 74242509) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID74242509
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(F)cc1-c1ncccc1C(=O)N1CCCC1
InChIInChI=1S/C17H17FN2O2/c1-22-15-7-6-12(18)11-14(15)16-13(5-4-8-19-16)17(21)20-9-2-3-10-20/h4-8,11H,2-3,9-10H2,1H3
InChIKeyDRHGUNTUZYUGFJ-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74230165
[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74249651
[2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 162638191
[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 74244180
[5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 72864790
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
[2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134700249
[4-[2-(2-bromo-4-fluorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55789308
1-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806210
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 1249644

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 74242509) is [2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is COc1ccc(F)cc1-c1ncccc1C(=O)N1CCCC1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is DRHGUNTUZYUGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-22-15-7-6-12(18)11-14(15)16-13(5-4-8-19-16)17(21)20-9-2-3-10-20/h4-8,11H,2-3,9-10H2,1H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 300.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 74242509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).