(1-amino-2-pyridin-3-ylethyl)phosphonic acid

C7H11N2O3P — CID 15083562

IUPAC(1-amino-2-pyridin-3-ylethyl)phosphonic acid
SMILESNC(Cc1cccnc1)P(=O)(O)O
InChIInChI=1S/C7H11N2O3P/c8-7(13(10,11)12)4-6-2-1-3-9-5-6/h1-3,5,7H,4,8H2,(H2,10,11,12)
InChIKeyLILWPNQWXWDYEX-UHFFFAOYSA-N
MW202.15 g/mol
LogP0.09
Rot. Bonds3

About (1-amino-2-pyridin-3-ylethyl)phosphonic acid

(1-amino-2-pyridin-3-ylethyl)phosphonic acid (PubChem CID 15083562) has the molecular formula C7H11N2O3P and a molecular weight of 202.15 g/mol. Its IUPAC name is (1-amino-2-pyridin-3-ylethyl)phosphonic acid.

Molecular Properties

Compound Name(1-amino-2-pyridin-3-ylethyl)phosphonic acid
PubChem CID15083562
Molecular FormulaC7H11N2O3P
Molecular Weight202.15 g/mol
Exact Mass202.05
IUPAC Name(1-amino-2-pyridin-3-ylethyl)phosphonic acid
SMILESNC(Cc1cccnc1)P(=O)(O)O
InChIInChI=1S/C7H11N2O3P/c8-7(13(10,11)12)4-6-2-1-3-9-5-6/h1-3,5,7H,4,8H2,(H2,10,11,12)
InChIKeyLILWPNQWXWDYEX-UHFFFAOYSA-N
XLogP0.09
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-nitroso-2-pyridin-3-ylethanamine
CID 154954091
[1-[ethoxy(hydroxy)phosphoryl]-2-pyridin-3-ylethyl]phosphonic acid
CID 142636074
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
CID 142428515
platinum(2+);propan-2-amine;pyridin-3-ylmethanol;dichloride
CID 11964438
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
(1-amino-2-pyridin-3-ylethyl) formate
CID 174641191
2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
3-(aminomethyl)-4-pyridin-3-ylbutan-2-one
CID 86775823

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-pyridin-3-ylethyl)phosphonic acid?
The IUPAC name of (1-amino-2-pyridin-3-ylethyl)phosphonic acid (CID 15083562) is (1-amino-2-pyridin-3-ylethyl)phosphonic acid.
What is the SMILES notation for (1-amino-2-pyridin-3-ylethyl)phosphonic acid?
The canonical SMILES for (1-amino-2-pyridin-3-ylethyl)phosphonic acid is NC(Cc1cccnc1)P(=O)(O)O.
What is the InChIKey of (1-amino-2-pyridin-3-ylethyl)phosphonic acid?
The InChIKey is LILWPNQWXWDYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O3P/c8-7(13(10,11)12)4-6-2-1-3-9-5-6/h1-3,5,7H,4,8H2,(H2,10,11,12).
What are the key properties of (1-amino-2-pyridin-3-ylethyl)phosphonic acid?
(1-amino-2-pyridin-3-ylethyl)phosphonic acid has a molecular weight of 202.15 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-pyridin-3-ylethyl)phosphonic acid is sourced from PubChem (CID 15083562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).