(6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium

C7H10N2O4P+ — CID 174655051

IUPAC(6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium
SMILESCOc1cc(CO[P+](=O)O)cnc1N
InChIInChI=1S/C7H9N2O4P/c1-12-6-2-5(3-9-7(6)8)4-13-14(10)11/h2-3H,4H2,1H3,(H2-,8,9,10,11)/p+1
InChIKeyMSHYZLAFBUIUHJ-UHFFFAOYSA-O
MW217.14 g/mol
LogP0.84
Rot. Bonds4

About (6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium

(6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium (PubChem CID 174655051) has the molecular formula C7H10N2O4P+ and a molecular weight of 217.14 g/mol. Its IUPAC name is (6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium
PubChem CID174655051
Molecular FormulaC7H10N2O4P+
Molecular Weight217.14 g/mol
Exact Mass217.04
IUPAC Name(6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium
SMILESCOc1cc(CO[P+](=O)O)cnc1N
InChIInChI=1S/C7H9N2O4P/c1-12-6-2-5(3-9-7(6)8)4-13-14(10)11/h2-3H,4H2,1H3,(H2-,8,9,10,11)/p+1
InChIKeyMSHYZLAFBUIUHJ-UHFFFAOYSA-O
XLogP0.84
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid
CID 170483537
3-methoxy-5-(2-methylbutan-2-yl)pyridin-2-amine
CID 66596227
ethyl (E)-3-(6-amino-5-methoxy-3-pyridinyl)prop-2-enoate
CID 66961501
5-ethynyl-3-methoxypyridin-2-amine
CID 74890841
6-amino-5-methoxypyridine-3-carbonitrile
CID 89437143
N-(6-amino-5-methoxy-3-pyridinyl)-3-methylbutanamide
CID 165440833
1-(6-amino-5-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857949
[3-[[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]methyl]-4-methoxyphenyl]methoxy-hydroxy-oxophosphanium
CID 175327895
5-(4-chlorobut-1-enyl)-3-methoxypyridin-2-amine
CID 170499115
4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol
CID 12656275
2-(5,6-dimethoxy-3-pyridinyl)ethanamine
CID 66847650
(6-chloro-5-methoxy-3-pyridinyl)methanol
CID 59297074

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium?
The IUPAC name of (6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium (CID 174655051) is (6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for (6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium?
The canonical SMILES for (6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium is COc1cc(CO[P+](=O)O)cnc1N.
What is the InChIKey of (6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium?
The InChIKey is MSHYZLAFBUIUHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9N2O4P/c1-12-6-2-5(3-9-7(6)8)4-13-14(10)11/h2-3H,4H2,1H3,(H2-,8,9,10,11)/p+1.
What are the key properties of (6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium?
(6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium has a molecular weight of 217.14 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methoxy-3-pyridinyl)methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 174655051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).