[6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium

C8H13N2O3+ — CID 166159140

IUPAC[6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium
SMILESCO[NH2+]c1ccc(C(O)CO)nc1
InChIInChI=1S/C8H12N2O3/c1-13-10-6-2-3-7(9-4-6)8(12)5-11/h2-4,8,10-12H,5H2,1H3/p+1
InChIKeyXDMODNUTWPBRPN-UHFFFAOYSA-O
MW185.20 g/mol
LogP-1.14
Rot. Bonds4

About [6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium

[6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium (PubChem CID 166159140) has the molecular formula C8H13N2O3+ and a molecular weight of 185.20 g/mol. Its IUPAC name is [6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium.

Molecular Properties

Compound Name[6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium
PubChem CID166159140
Molecular FormulaC8H13N2O3+
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name[6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium
SMILESCO[NH2+]c1ccc(C(O)CO)nc1
InChIInChI=1S/C8H12N2O3/c1-13-10-6-2-3-7(9-4-6)8(12)5-11/h2-4,8,10-12H,5H2,1H3/p+1
InChIKeyXDMODNUTWPBRPN-UHFFFAOYSA-O
XLogP-1.14
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol
CID 121261456
[6-(1,2-dihydroxyethyl)-3-pyridinyl]carbamic acid
CID 139580255
1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 112585568
(1S)-1-[5-(4-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939120
(1R)-1-[5-(2-hydroxyethyl)pyrazin-2-yl]ethane-1,2-diol
CID 57346401
1-(2-methyl-[1,3]thiazolo[5,4-c]pyridin-6-yl)ethane-1,2-diol
CID 155566262
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
CID 122701977
(1R)-1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
CID 134543108
(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166158897
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939114

Frequently Asked Questions

What is the IUPAC name of [6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium?
The IUPAC name of [6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium (CID 166159140) is [6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium.
What is the SMILES notation for [6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium?
The canonical SMILES for [6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium is CO[NH2+]c1ccc(C(O)CO)nc1.
What is the InChIKey of [6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium?
The InChIKey is XDMODNUTWPBRPN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12N2O3/c1-13-10-6-2-3-7(9-4-6)8(12)5-11/h2-4,8,10-12H,5H2,1H3/p+1.
What are the key properties of [6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium?
[6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium has a molecular weight of 185.20 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,2-dihydroxyethyl)-3-pyridinyl]-methoxyazanium is sourced from PubChem (CID 166159140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).