(5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone

C13H15ClN2O2 — CID 138385331

IUPAC(5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cn1)N1CCCC1C1(O)CC1
InChIInChI=1S/C13H15ClN2O2/c14-9-3-4-10(15-8-9)12(17)16-7-1-2-11(16)13(18)5-6-13/h3-4,8,11,18H,1-2,5-7H2
InChIKeyKLYHGIYVTARLFV-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.86
Rot. Bonds2

About (5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone

(5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone (PubChem CID 138385331) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
PubChem CID138385331
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name(5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cn1)N1CCCC1C1(O)CC1
InChIInChI=1S/C13H15ClN2O2/c14-9-3-4-10(15-8-9)12(17)16-7-1-2-11(16)13(18)5-6-13/h3-4,8,11,18H,1-2,5-7H2
InChIKeyKLYHGIYVTARLFV-UHFFFAOYSA-N
XLogP1.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 80998555
1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549533
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-chloro-2-pyridinyl)methanone
CID 81098091
(5-chloro-2-pyridinyl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136526675
(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949586
(5-chloro-2-pyridinyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472239
2-[1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393457
2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248069
(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727395
(6R,11R)-8-(5-chloropyridine-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164697471
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 103352115
[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119464950

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone (CID 138385331) is (5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)cn1)N1CCCC1C1(O)CC1.
What is the InChIKey of (5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone?
The InChIKey is KLYHGIYVTARLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-9-3-4-10(15-8-9)12(17)16-7-1-2-11(16)13(18)5-6-13/h3-4,8,11,18H,1-2,5-7H2.
What are the key properties of (5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone?
(5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone has a molecular weight of 266.73 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 138385331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).