1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol

C9H12Cl2N2O2 — CID 171893439

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol
SMILESNc1ncc(Cl)cc1C(O)C(O)CCCl
InChIInChI=1S/C9H12Cl2N2O2/c10-2-1-7(14)8(15)6-3-5(11)4-13-9(6)12/h3-4,7-8,14-15H,1-2H2,(H2,12,13)
InChIKeyZMIKJYIOKDLXHP-UHFFFAOYSA-N
MW251.11 g/mol
LogP1.34
Rot. Bonds4

About 1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol

1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol (PubChem CID 171893439) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol
PubChem CID171893439
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol
SMILESNc1ncc(Cl)cc1C(O)C(O)CCCl
InChIInChI=1S/C9H12Cl2N2O2/c10-2-1-7(14)8(15)6-3-5(11)4-13-9(6)12/h3-4,7-8,14-15H,1-2H2,(H2,12,13)
InChIKeyZMIKJYIOKDLXHP-UHFFFAOYSA-N
XLogP1.34
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893440
ethyl 4-(2-amino-5-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897021
1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol
CID 171893871
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
1-(4-amino-2,5-dichlorophenyl)-4-chlorobutane-1,2-diol
CID 171893875
1-(2-amino-5-chloro-3-pyridinyl)but-3-en-1-ol
CID 116659950
1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
CID 55273513
1-(5-chloro-2-methoxy-3-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171874197
(2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol
CID 65362465
1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol
CID 170817616
3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol
CID 170829105
1-(4-amino-6-chloro-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819513

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol (CID 171893439) is 1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol is Nc1ncc(Cl)cc1C(O)C(O)CCCl.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol?
The InChIKey is ZMIKJYIOKDLXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2/c10-2-1-7(14)8(15)6-3-5(11)4-13-9(6)12/h3-4,7-8,14-15H,1-2H2,(H2,12,13).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol?
1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol has a molecular weight of 251.11 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol is sourced from PubChem (CID 171893439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).