1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol

C8H10Cl2N2O2 — CID 171861677

IUPAC1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol
SMILESNc1cc(C(O)C(O)CCl)cnc1Cl
InChIInChI=1S/C8H10Cl2N2O2/c9-2-6(13)7(14)4-1-5(11)8(10)12-3-4/h1,3,6-7,13-14H,2,11H2
InChIKeyCOYZZKOFMHGVAQ-UHFFFAOYSA-N
MW237.09 g/mol
LogP0.95
Rot. Bonds3

About 1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol

1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol (PubChem CID 171861677) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol.

Molecular Properties

Compound Name1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol
PubChem CID171861677
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol
SMILESNc1cc(C(O)C(O)CCl)cnc1Cl
InChIInChI=1S/C8H10Cl2N2O2/c9-2-6(13)7(14)4-1-5(11)8(10)12-3-4/h1,3,6-7,13-14H,2,11H2
InChIKeyCOYZZKOFMHGVAQ-UHFFFAOYSA-N
XLogP0.95
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 50.95
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-methyl-3-pyridinyl)-3-chloropropane-1,2-diol
CID 171861696
ethyl 4-(5-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897024
N-[3-(5-amino-6-chloro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829700
(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 130706086
(1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine
CID 131097721
3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol
CID 171861738
3-chloro-1-(2-methoxypyrimidin-5-yl)propane-1,2-diol
CID 171861723
4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956
4-bromo-1-(5,6-dichloro-3-pyridinyl)butane-1,2-diol
CID 171891754
1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol
CID 171861554
1-(5-amino-6-chloro-2-pyridinyl)-3-chloropropane-1,2-diol
CID 171861679
1-(4-amino-3-hydroxyphenyl)-3-chloropropane-1,2-diol
CID 171861803

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol?
The IUPAC name of 1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol (CID 171861677) is 1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol.
What is the SMILES notation for 1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol?
The canonical SMILES for 1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol is Nc1cc(C(O)C(O)CCl)cnc1Cl.
What is the InChIKey of 1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol?
The InChIKey is COYZZKOFMHGVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2/c9-2-6(13)7(14)4-1-5(11)8(10)12-3-4/h1,3,6-7,13-14H,2,11H2.
What are the key properties of 1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol?
1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol has a molecular weight of 237.09 g/mol, XLogP of 0.95, 3 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-3-pyridinyl)-3-chloropropane-1,2-diol is sourced from PubChem (CID 171861677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).