1-pyridin-2-ylprop-1-en-2-ylphosphonic acid

C8H10NO3P — CID 177312933

IUPAC1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
SMILESCC(=Cc1ccccn1)P(=O)(O)O
InChIInChI=1S/C8H10NO3P/c1-7(13(10,11)12)6-8-4-2-3-5-9-8/h2-6H,1H3,(H2,10,11,12)
InChIKeyZZZFQQZOGGXNSE-UHFFFAOYSA-N
MW199.15 g/mol
LogP1.62
Rot. Bonds2

About 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid

1-pyridin-2-ylprop-1-en-2-ylphosphonic acid (PubChem CID 177312933) has the molecular formula C8H10NO3P and a molecular weight of 199.15 g/mol. Its IUPAC name is 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid.

Molecular Properties

Compound Name1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
PubChem CID177312933
Molecular FormulaC8H10NO3P
Molecular Weight199.15 g/mol
Exact Mass199.04
IUPAC Name1-pyridin-2-ylprop-1-en-2-ylphosphonic acid
SMILESCC(=Cc1ccccn1)P(=O)(O)O
InChIInChI=1S/C8H10NO3P/c1-7(13(10,11)12)6-8-4-2-3-5-9-8/h2-6H,1H3,(H2,10,11,12)
InChIKeyZZZFQQZOGGXNSE-UHFFFAOYSA-N
XLogP1.62
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-chloro-3-pyridin-2-ylprop-2-enal
CID 12946087
(E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal
CID 173269986
2-[(E)-2-(2-chlorophenyl)prop-1-enyl]pyridine
CID 14947053
2-(methylamino)-3-pyridin-2-ylprop-2-enal
CID 173269525
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate
CID 173269721
2-N-[(E)-pyridin-2-ylmethylideneamino]-3-N-[(Z)-[(3Z)-3-[(Z)-[(3E)-3-[(E)-pyridin-2-ylmethylidenehydrazinylidene]butan-2-ylidene]hydrazinylidene]butan-2-ylidene]amino]butane-2,3-diimine
CID 11979937
(Z)-3,3,4,4,4-pentafluoro-1-pyridin-2-ylbut-1-en-2-ol
CID 139136787
2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine
CID 87146074
(E)-2,7,7-trimethyl-1-pyridin-2-yloct-1-ene-3,6-dione
CID 58441700
2-[(E)-2-naphthalen-1-ylprop-1-enyl]pyridine
CID 90079269
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid?
The IUPAC name of 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid (CID 177312933) is 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid.
What is the SMILES notation for 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid?
The canonical SMILES for 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid is CC(=Cc1ccccn1)P(=O)(O)O.
What is the InChIKey of 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid?
The InChIKey is ZZZFQQZOGGXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO3P/c1-7(13(10,11)12)6-8-4-2-3-5-9-8/h2-6H,1H3,(H2,10,11,12).
What are the key properties of 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid?
1-pyridin-2-ylprop-1-en-2-ylphosphonic acid has a molecular weight of 199.15 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylprop-1-en-2-ylphosphonic acid is sourced from PubChem (CID 177312933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).