3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol

C8H10Cl2N2O — CID 84686361

IUPAC3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol
SMILESNCCC(O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C8H10Cl2N2O/c9-6-4-12-8(10)3-5(6)7(13)1-2-11/h3-4,7,13H,1-2,11H2
InChIKeyWYAYGLAPJFQUDZ-UHFFFAOYSA-N
MW221.09 g/mol
LogP1.77
Rot. Bonds3

About 3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol

3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol (PubChem CID 84686361) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol
PubChem CID84686361
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol
SMILESNCCC(O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C8H10Cl2N2O/c9-6-4-12-8(10)3-5(6)7(13)1-2-11/h3-4,7,13H,1-2,11H2
InChIKeyWYAYGLAPJFQUDZ-UHFFFAOYSA-N
XLogP1.77
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-amino-1-(2,5-dichloro-4-pyridinyl)propan-2-ol
CID 130701561
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
CID 140626356
3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol
CID 105453264
3-amino-1-(6-chloroimidazo[1,2-a]pyrazin-3-yl)propan-1-ol
CID 84690769
3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol
CID 84669773
(1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine
CID 55271464
3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol
CID 84788316
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
CID 81262700
(2,5-dichloro-4-pyridinyl)methanamine;dihydrochloride
CID 155978043
(2,5-dichloro-4-pyridinyl)methanamine;hydrochloride
CID 118607245
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol (CID 84686361) is 3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol is NCCC(O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol?
The InChIKey is WYAYGLAPJFQUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c9-6-4-12-8(10)3-5(6)7(13)1-2-11/h3-4,7,13H,1-2,11H2.
What are the key properties of 3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol?
3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol has a molecular weight of 221.09 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol is sourced from PubChem (CID 84686361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).