3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol

C9H14N2O3 — CID 170827843

IUPAC3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol
SMILESCOc1cc(C(O)C(O)CN)ccn1
InChIInChI=1S/C9H14N2O3/c1-14-8-4-6(2-3-11-8)9(13)7(12)5-10/h2-4,7,9,12-13H,5,10H2,1H3
InChIKeySYTMGRASMOEKFZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.56
Rot. Bonds4

About 3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol

3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol (PubChem CID 170827843) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol
PubChem CID170827843
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol
SMILESCOc1cc(C(O)C(O)CN)ccn1
InChIInChI=1S/C9H14N2O3/c1-14-8-4-6(2-3-11-8)9(13)7(12)5-10/h2-4,7,9,12-13H,5,10H2,1H3
InChIKeySYTMGRASMOEKFZ-UHFFFAOYSA-N
XLogP-0.56
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydroxy-4-(2-methoxy-4-pyridinyl)butanenitrile
CID 171900762
3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol
CID 170827559
(1R)-1-(2-methoxy-4-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130901703
3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827972
2-methoxy-4-pentan-2-ylpyridine
CID 155069578
3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol
CID 170827832
3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
CID 170828157
3-amino-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 170829202
methyl 2-cyclopropyl-2-(2-methoxy-4-pyridinyl)acetate
CID 175669708
ethyl 4-(2-bromo-4-pyridinyl)-3,4-dihydroxybutanoate
CID 171898443
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
(2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine
CID 122688967

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol (CID 170827843) is 3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol is COc1cc(C(O)C(O)CN)ccn1.
What is the InChIKey of 3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol?
The InChIKey is SYTMGRASMOEKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-14-8-4-6(2-3-11-8)9(13)7(12)5-10/h2-4,7,9,12-13H,5,10H2,1H3.
What are the key properties of 3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol?
3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol has a molecular weight of 198.22 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170827843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).