(1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol

C16H19ClN2O2 — CID 97078704

IUPAC(1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol
SMILESO[C@H](C[C@@H]1CCCN1Cc1ccncc1Cl)c1ccco1
InChIInChI=1S/C16H19ClN2O2/c17-14-10-18-6-5-12(14)11-19-7-1-3-13(19)9-15(20)16-4-2-8-21-16/h2,4-6,8,10,13,15,20H,1,3,7,9,11H2/t13-,15+/m0/s1
InChIKeyCLXYPTVPUZKBPA-DZGCQCFKSA-N
MW306.79 g/mol
LogP3.42
Rot. Bonds5

About (1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol

(1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol (PubChem CID 97078704) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is (1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol
PubChem CID97078704
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name(1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol
SMILESO[C@H](C[C@@H]1CCCN1Cc1ccncc1Cl)c1ccco1
InChIInChI=1S/C16H19ClN2O2/c17-14-10-18-6-5-12(14)11-19-7-1-3-13(19)9-15(20)16-4-2-8-21-16/h2,4-6,8,10,13,15,20H,1,3,7,9,11H2/t13-,15+/m0/s1
InChIKeyCLXYPTVPUZKBPA-DZGCQCFKSA-N
XLogP3.42
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol with MolForge

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Related Compounds

(1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol
CID 97078677
(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
CID 97224996
2-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339522
4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]-3-chloropyridine
CID 80671260
(5-chloropyrimidin-4-yl)-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97326179
(1R)-2-[(2S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]azepan-2-yl]-1-(furan-2-yl)ethanol
CID 97078680
(1S)-2-[(2S)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]azepan-2-yl]-1-(furan-2-yl)ethanol
CID 124872222
(1R)-1-(furan-2-yl)-2-[(2R)-1-[2-(1,2,4-triazol-1-yl)ethyl]azepan-2-yl]ethanol
CID 97078670
3-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-hydroxy-2-phenylpropanamide
CID 122154559
1-[(3-chloro-4-pyridinyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681930
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858547
N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 71989111

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol?
The IUPAC name of (1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol (CID 97078704) is (1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol is O[C@H](C[C@@H]1CCCN1Cc1ccncc1Cl)c1ccco1.
What is the InChIKey of (1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol?
The InChIKey is CLXYPTVPUZKBPA-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-14-10-18-6-5-12(14)11-19-7-1-3-13(19)9-15(20)16-4-2-8-21-16/h2,4-6,8,10,13,15,20H,1,3,7,9,11H2/t13-,15+/m0/s1.
What are the key properties of (1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol?
(1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol has a molecular weight of 306.79 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 97078704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).