3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol

C9H13Cl2N3O2 — CID 102758874

IUPAC3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol
SMILESCNc1nc(NCC(O)CO)c(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3O2/c1-12-8-6(10)2-7(11)9(14-8)13-3-5(16)4-15/h2,5,15-16H,3-4H2,1H3,(H2,12,13,14)
InChIKeyHFIXHEPETFWZJH-UHFFFAOYSA-N
MW266.13 g/mol
LogP1.20
Rot. Bonds5

About 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol

3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol (PubChem CID 102758874) has the molecular formula C9H13Cl2N3O2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol
PubChem CID102758874
Molecular FormulaC9H13Cl2N3O2
Molecular Weight266.13 g/mol
Exact Mass265.04
IUPAC Name3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol
SMILESCNc1nc(NCC(O)CO)c(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3O2/c1-12-8-6(10)2-7(11)9(14-8)13-3-5(16)4-15/h2,5,15-16H,3-4H2,1H3,(H2,12,13,14)
InChIKeyHFIXHEPETFWZJH-UHFFFAOYSA-N
XLogP1.20
TPSA77.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol?
The IUPAC name of 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol (CID 102758874) is 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol is CNc1nc(NCC(O)CO)c(Cl)cc1Cl.
What is the InChIKey of 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol?
The InChIKey is HFIXHEPETFWZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O2/c1-12-8-6(10)2-7(11)9(14-8)13-3-5(16)4-15/h2,5,15-16H,3-4H2,1H3,(H2,12,13,14).
What are the key properties of 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol?
3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol has a molecular weight of 266.13 g/mol, XLogP of 1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]propane-1,2-diol is sourced from PubChem (CID 102758874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).