2-methoxypyridine-3-carbaldehyde;phosphoric acid

C7H10NO6P — CID 172754145

IUPAC2-methoxypyridine-3-carbaldehyde;phosphoric acid
SMILESCOc1ncccc1C=O.O=P(O)(O)O
InChIInChI=1S/C7H7NO2.H3O4P/c1-10-7-6(5-9)3-2-4-8-7;1-5(2,3)4/h2-5H,1H3;(H3,1,2,3,4)
InChIKeyKUAZBLOSORBLEB-UHFFFAOYSA-N
MW235.13 g/mol
LogP-0.03
Rot. Bonds2

About 2-methoxypyridine-3-carbaldehyde;phosphoric acid

2-methoxypyridine-3-carbaldehyde;phosphoric acid (PubChem CID 172754145) has the molecular formula C7H10NO6P and a molecular weight of 235.13 g/mol. Its IUPAC name is 2-methoxypyridine-3-carbaldehyde;phosphoric acid.

Molecular Properties

Compound Name2-methoxypyridine-3-carbaldehyde;phosphoric acid
PubChem CID172754145
Molecular FormulaC7H10NO6P
Molecular Weight235.13 g/mol
Exact Mass235.02
IUPAC Name2-methoxypyridine-3-carbaldehyde;phosphoric acid
SMILESCOc1ncccc1C=O.O=P(O)(O)O
InChIInChI=1S/C7H7NO2.H3O4P/c1-10-7-6(5-9)3-2-4-8-7;1-5(2,3)4/h2-5H,1H3;(H3,1,2,3,4)
InChIKeyKUAZBLOSORBLEB-UHFFFAOYSA-N
XLogP-0.03
TPSA116.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde
CID 160654642
3-(2-methoxy-3-pyridinyl)prop-2-enal
CID 169458903
2-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516168
4-(2-methoxy-3-pyridinyl)but-3-enoic acid
CID 170483350
2-pentoxypyridine-3-carbaldehyde
CID 11622489
2-methoxy-3-[(E)-3-methyl-2-nitrobut-1-enyl]pyridine
CID 164570619
2-methoxypyridin-3-ol;hydrate
CID 132769884
5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde
CID 91511347
2-cyclohexyloxypyridine-3-carbaldehyde
CID 42553139
2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde
CID 114055694
3-formyl-N-methylpyridine-2-carboxamide
CID 89245626
1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde
CID 102909917

Frequently Asked Questions

What is the IUPAC name of 2-methoxypyridine-3-carbaldehyde;phosphoric acid?
The IUPAC name of 2-methoxypyridine-3-carbaldehyde;phosphoric acid (CID 172754145) is 2-methoxypyridine-3-carbaldehyde;phosphoric acid.
What is the SMILES notation for 2-methoxypyridine-3-carbaldehyde;phosphoric acid?
The canonical SMILES for 2-methoxypyridine-3-carbaldehyde;phosphoric acid is COc1ncccc1C=O.O=P(O)(O)O.
What is the InChIKey of 2-methoxypyridine-3-carbaldehyde;phosphoric acid?
The InChIKey is KUAZBLOSORBLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.H3O4P/c1-10-7-6(5-9)3-2-4-8-7;1-5(2,3)4/h2-5H,1H3;(H3,1,2,3,4).
What are the key properties of 2-methoxypyridine-3-carbaldehyde;phosphoric acid?
2-methoxypyridine-3-carbaldehyde;phosphoric acid has a molecular weight of 235.13 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypyridine-3-carbaldehyde;phosphoric acid is sourced from PubChem (CID 172754145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).