4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol

C9H13ClN2O2 — CID 171880722

IUPAC4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc(Cl)nc1
InChIInChI=1S/C9H13ClN2O2/c10-8-2-1-6(5-12-8)9(14)7(13)3-4-11/h1-2,5,7,9,13-14H,3-4,11H2
InChIKeyWOKDILYRMOCQGT-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.48
Rot. Bonds4

About 4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol

4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol (PubChem CID 171880722) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
PubChem CID171880722
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc(Cl)nc1
InChIInChI=1S/C9H13ClN2O2/c10-8-2-1-6(5-12-8)9(14)7(13)3-4-11/h1-2,5,7,9,13-14H,3-4,11H2
InChIKeyWOKDILYRMOCQGT-UHFFFAOYSA-N
XLogP0.48
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
4-chloro-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171893265
4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol
CID 171881066
4-amino-1-(6-nitro-3-pyridinyl)butane-1,2-diol
CID 171881245
4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956
1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
CID 131509867
4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
CID 171881415
5-(4-amino-1,2-dihydroxybutyl)-2-chloropyridine-3-carboxylic acid
CID 171881681
4-amino-1-(4-bromophenyl)butane-1,2-diol
CID 171882308
(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol
CID 118675733
(1S)-1-(6-chloro-3-pyridinyl)butane-1,4-diamine
CID 171218298
4-amino-1-(3-bromo-4-chlorophenyl)butane-1,2-diol
CID 171882344

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol (CID 171880722) is 4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol is NCCC(O)C(O)c1ccc(Cl)nc1.
What is the InChIKey of 4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol?
The InChIKey is WOKDILYRMOCQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c10-8-2-1-6(5-12-8)9(14)7(13)3-4-11/h1-2,5,7,9,13-14H,3-4,11H2.
What are the key properties of 4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol?
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol has a molecular weight of 216.67 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171880722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).