(2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol

C12H16Cl2N2O — CID 124850219

IUPAC(2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
SMILESC[C@H](O)C[C@H]1CCCN1c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-8(17)5-10-3-2-4-16(10)12-11(14)6-9(13)7-15-12/h6-8,10,17H,2-5H2,1H3/t8-,10+/m0/s1
InChIKeyQDTSNSZWLOPXLC-WCBMZHEXSA-N
MW275.18 g/mol
LogP3.13
Rot. Bonds3

About (2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol

(2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 124850219) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is (2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID124850219
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name(2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
SMILESC[C@H](O)C[C@H]1CCCN1c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-8(17)5-10-3-2-4-16(10)12-11(14)6-9(13)7-15-12/h6-8,10,17H,2-5H2,1H3/t8-,10+/m0/s1
InChIKeyQDTSNSZWLOPXLC-WCBMZHEXSA-N
XLogP3.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol with MolForge

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Related Compounds

1-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]propan-2-ol
CID 112748394
2-(chloromethyl)-1-(3,5-dichloro-2-pyridinyl)azepane
CID 116638899
3-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
CID 55243747
2-(2-tert-butylpyrrolidin-1-yl)-3,5-dichloropyridine
CID 67953215
1-[1-(5-chloro-2-hydrazinylpyrimidin-4-yl)azepan-2-yl]propan-2-ol
CID 112748846
[1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 79727661
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
[5-chloro-6-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 62299264
[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-2-yl]methanol
CID 114836463
[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]methanol
CID 79727255
[5-chloro-6-(2-ethylazepan-1-yl)-3-pyridinyl]methanol
CID 104691283
5-chloro-3-fluoro-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine
CID 79727902

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol (CID 124850219) is (2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol is C[C@H](O)C[C@H]1CCCN1c1ncc(Cl)cc1Cl.
What is the InChIKey of (2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is QDTSNSZWLOPXLC-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8(17)5-10-3-2-4-16(10)12-11(14)6-9(13)7-15-12/h6-8,10,17H,2-5H2,1H3/t8-,10+/m0/s1.
What are the key properties of (2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol?
(2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 275.18 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-1-(3,5-dichloro-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 124850219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).