1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol

C9H12Cl2N2O2 — CID 171893444

IUPAC1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol
SMILESNc1ccc(C(O)C(O)CCCl)nc1Cl
InChIInChI=1S/C9H12Cl2N2O2/c10-4-3-7(14)8(15)6-2-1-5(12)9(11)13-6/h1-2,7-8,14-15H,3-4,12H2
InChIKeyYRILHAGLTIYCJJ-UHFFFAOYSA-N
MW251.11 g/mol
LogP1.34
Rot. Bonds4

About 1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol

1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol (PubChem CID 171893444) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol.

Molecular Properties

Compound Name1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol
PubChem CID171893444
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol
SMILESNc1ccc(C(O)C(O)CCCl)nc1Cl
InChIInChI=1S/C9H12Cl2N2O2/c10-4-3-7(14)8(15)6-2-1-5(12)9(11)13-6/h1-2,7-8,14-15H,3-4,12H2
InChIKeyYRILHAGLTIYCJJ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-6-chloro-2-pyridinyl)-3-chloropropane-1,2-diol
CID 171861679
4-amino-1-(5-amino-6-chloro-2-pyridinyl)butane-1,2-diol
CID 171880901
1-(5-amino-6-chloro-2-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873736
1-(5-amino-6-chloro-2-pyridinyl)propane-1,2,3-triol
CID 170817506
S-[4-(5-amino-6-chloro-2-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875528
2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol
CID 88634659
3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol
CID 171863141
4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol
CID 171893610
1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893471
1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol
CID 171893574
4-chloro-1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2-diol
CID 171893518
1-(5-amino-6-chloropyrazin-2-yl)butane-1,2,4-triol
CID 171872100

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol?
The IUPAC name of 1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol (CID 171893444) is 1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol.
What is the SMILES notation for 1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol?
The canonical SMILES for 1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol is Nc1ccc(C(O)C(O)CCCl)nc1Cl.
What is the InChIKey of 1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol?
The InChIKey is YRILHAGLTIYCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2/c10-4-3-7(14)8(15)6-2-1-5(12)9(11)13-6/h1-2,7-8,14-15H,3-4,12H2.
What are the key properties of 1-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol?
1-(5-amino-6-chloro-2-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-(5-amino-6-chloro-2-pyridinyl)-4-chlorobutane-1,2-diol is sourced from PubChem (CID 171893444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).