4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol

C9H11ClN2O2 — CID 130727372

IUPAC4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol
SMILESOC1COCC1Nc1ncccc1Cl
InChIInChI=1S/C9H11ClN2O2/c10-6-2-1-3-11-9(6)12-7-4-14-5-8(7)13/h1-3,7-8,13H,4-5H2,(H,11,12)
InChIKeyPKUCPDFVWLBXTQ-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.91
Rot. Bonds2

About 4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol

4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol (PubChem CID 130727372) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol
PubChem CID130727372
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol
SMILESOC1COCC1Nc1ncccc1Cl
InChIInChI=1S/C9H11ClN2O2/c10-6-2-1-3-11-9(6)12-7-4-14-5-8(7)13/h1-3,7-8,13H,4-5H2,(H,11,12)
InChIKeyPKUCPDFVWLBXTQ-UHFFFAOYSA-N
XLogP0.91
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine
CID 127002095
4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol
CID 130688470
3-chloro-N-cyclobutylpyridin-2-amine
CID 62414981
3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine
CID 91773034
(3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol
CID 130702874
N-(3-chloro-2-pyridinyl)morpholin-4-amine
CID 83025582
(3S,4R)-4-anilinooxolan-3-ol
CID 93383619
(3S,4R)-4-[(6-chloropyridazin-3-yl)amino]oxolan-3-ol
CID 130729685
(3S,4S)-4-[[5-chloro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-yl]amino]oxolan-3-ol
CID 171660695
3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 61020967
4-[(2-methoxy-3-pyridinyl)methylamino]oxolan-3-ol
CID 60908729
(3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol
CID 126846659

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol (CID 130727372) is 4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol is OC1COCC1Nc1ncccc1Cl.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol?
The InChIKey is PKUCPDFVWLBXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-6-2-1-3-11-9(6)12-7-4-14-5-8(7)13/h1-3,7-8,13H,4-5H2,(H,11,12).
What are the key properties of 4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol?
4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol has a molecular weight of 214.65 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol is sourced from PubChem (CID 130727372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).