3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol

C9H14N2O3 — CID 170827832

IUPAC3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol
SMILESCOc1cccc(C(O)C(O)CN)n1
InChIInChI=1S/C9H14N2O3/c1-14-8-4-2-3-6(11-8)9(13)7(12)5-10/h2-4,7,9,12-13H,5,10H2,1H3
InChIKeyFDGAWKZUSPLCMN-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.56
Rot. Bonds4

About 3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol

3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol (PubChem CID 170827832) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol
PubChem CID170827832
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol
SMILESCOc1cccc(C(O)C(O)CN)n1
InChIInChI=1S/C9H14N2O3/c1-14-8-4-2-3-6(11-8)9(13)7(12)5-10/h2-4,7,9,12-13H,5,10H2,1H3
InChIKeyFDGAWKZUSPLCMN-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-amino-1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-ol
CID 103348723
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 82654871
1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 103348126
2,3-dihydroxy-3-(6-methoxy-2-pyridinyl)propanamide
CID 171867949
2-amino-1-(6-methoxy-2-pyridinyl)-3-phenylpropan-1-ol
CID 103347781
3-(6-methoxy-2-pyridinyl)butan-2-ol
CID 63588761
2-(aminomethyl)-1-(6-methoxy-2-pyridinyl)-2-methylbutan-1-ol
CID 103348729
1-(6-methoxy-2-pyridinyl)-2,2-dimethylpropan-1-ol
CID 10679382
(1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol
CID 137495708
2-(6-methoxy-2-pyridinyl)pentan-3-amine
CID 63587617
3-(6-methoxy-2-pyridinyl)butanamide
CID 50995844
[(6-methoxy-2-pyridinyl)-trimethylsilylmethyl]-trimethylsilane
CID 58835865

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol (CID 170827832) is 3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol is COc1cccc(C(O)C(O)CN)n1.
What is the InChIKey of 3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol?
The InChIKey is FDGAWKZUSPLCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-14-8-4-2-3-6(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-(6-methoxy-2-pyridinyl)propane-1,2-diol?
3-amino-1-(6-methoxy-2-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-(6-methoxy-2-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170827832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).