(5-cyano-2-pyridinyl) dihydrogen phosphate

C6H5N2O4P — CID 172722291

IUPAC(5-cyano-2-pyridinyl) dihydrogen phosphate
SMILESN#Cc1ccc(OP(=O)(O)O)nc1
InChIInChI=1S/C6H5N2O4P/c7-3-5-1-2-6(8-4-5)12-13(9,10)11/h1-2,4H,(H2,9,10,11)
InChIKeyGRHZHMYFYOBYLG-UHFFFAOYSA-N
MW200.09 g/mol
LogP0.42
Rot. Bonds2

About (5-cyano-2-pyridinyl) dihydrogen phosphate

(5-cyano-2-pyridinyl) dihydrogen phosphate (PubChem CID 172722291) has the molecular formula C6H5N2O4P and a molecular weight of 200.09 g/mol. Its IUPAC name is (5-cyano-2-pyridinyl) dihydrogen phosphate.

Molecular Properties

Compound Name(5-cyano-2-pyridinyl) dihydrogen phosphate
PubChem CID172722291
Molecular FormulaC6H5N2O4P
Molecular Weight200.09 g/mol
Exact Mass200.00
IUPAC Name(5-cyano-2-pyridinyl) dihydrogen phosphate
SMILESN#Cc1ccc(OP(=O)(O)O)nc1
InChIInChI=1S/C6H5N2O4P/c7-3-5-1-2-6(8-4-5)12-13(9,10)11/h1-2,4H,(H2,9,10,11)
InChIKeyGRHZHMYFYOBYLG-UHFFFAOYSA-N
XLogP0.42
TPSA103.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(1-chloroethoxy)pyridine-3-carbonitrile
CID 143861415
2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane
CID 143422628
ethyl 3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoate
CID 66818619
6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
CID 150538263
methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile
CID 162105536
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
6-but-2-enoxypyridine-3-carbonitrile
CID 76938235
[4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid
CID 141280425
6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile
CID 103177589
3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61396265
6-(1-cyclopropylethoxy)pyridine-3-carbonitrile
CID 126955007

Frequently Asked Questions

What is the IUPAC name of (5-cyano-2-pyridinyl) dihydrogen phosphate?
The IUPAC name of (5-cyano-2-pyridinyl) dihydrogen phosphate (CID 172722291) is (5-cyano-2-pyridinyl) dihydrogen phosphate.
What is the SMILES notation for (5-cyano-2-pyridinyl) dihydrogen phosphate?
The canonical SMILES for (5-cyano-2-pyridinyl) dihydrogen phosphate is N#Cc1ccc(OP(=O)(O)O)nc1.
What is the InChIKey of (5-cyano-2-pyridinyl) dihydrogen phosphate?
The InChIKey is GRHZHMYFYOBYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2O4P/c7-3-5-1-2-6(8-4-5)12-13(9,10)11/h1-2,4H,(H2,9,10,11).
What are the key properties of (5-cyano-2-pyridinyl) dihydrogen phosphate?
(5-cyano-2-pyridinyl) dihydrogen phosphate has a molecular weight of 200.09 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-2-pyridinyl) dihydrogen phosphate is sourced from PubChem (CID 172722291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).