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

C9H13Cl2N3O2 — CID 102758876

IUPAC3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3O2/c1-9(16,4-15)3-13-8-6(11)2-5(10)7(12)14-8/h2,15-16H,3-4H2,1H3,(H3,12,13,14)
InChIKeyVJCVLSTXHWBKGM-UHFFFAOYSA-N
MW266.13 g/mol
LogP1.13
Rot. Bonds4

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

3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol (PubChem CID 102758876) has the molecular formula C9H13Cl2N3O2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
PubChem CID102758876
Molecular FormulaC9H13Cl2N3O2
Molecular Weight266.13 g/mol
Exact Mass265.04
IUPAC Name3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3O2/c1-9(16,4-15)3-13-8-6(11)2-5(10)7(12)14-8/h2,15-16H,3-4H2,1H3,(H3,12,13,14)
InChIKeyVJCVLSTXHWBKGM-UHFFFAOYSA-N
XLogP1.13
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248982
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106258224
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol
CID 102758878
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 114157090
4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol
CID 106847028
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80851413
ethyl 2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]acetate
CID 102756332
3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 80851174
3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol
CID 66169047
1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-2-methylpropan-2-ol
CID 102758667
3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
CID 102758112

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol (CID 102758876) is 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol is CC(O)(CO)CNc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The InChIKey is VJCVLSTXHWBKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O2/c1-9(16,4-15)3-13-8-6(11)2-5(10)7(12)14-8/h2,15-16H,3-4H2,1H3,(H3,12,13,14).
What are the key properties of 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol has a molecular weight of 266.13 g/mol, XLogP of 1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 102758876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).