(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C14H14FN3O — CID 113240934

IUPAC(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccncc1F)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H14FN3O/c15-11-9-16-7-5-10(11)14(19)18-8-2-4-13(18)12-3-1-6-17-12/h1,3,5-7,9,13,17H,2,4,8H2
InChIKeyXSIKFVZMLFGDLS-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.53
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 113240934) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID113240934
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccncc1F)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H14FN3O/c15-11-9-16-7-5-10(11)14(19)18-8-2-4-13(18)12-3-1-6-17-12/h1,3,5-7,9,13,17H,2,4,8H2
InChIKeyXSIKFVZMLFGDLS-UHFFFAOYSA-N
XLogP2.53
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47028453
(4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 115745671
(3-fluoro-4-pyridinyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993661
(2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 110873124
(2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 94773926
(3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 115930359
(5-bromo-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 65309796
(2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95604428
(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 64950702
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 95579135
(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 79388531
1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile
CID 64949689

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 113240934) is (3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccncc1F)N1CCCC1c1ccc[nH]1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XSIKFVZMLFGDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-11-9-16-7-5-10(11)14(19)18-8-2-4-13(18)12-3-1-6-17-12/h1,3,5-7,9,13,17H,2,4,8H2.
What are the key properties of (3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 259.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 113240934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).