(naphthalen-1-ylamino)phosphonic acid

C10H10NO3P — CID 66660406

IUPAC(naphthalen-1-ylamino)phosphonic acid
SMILESO=P(O)(O)Nc1cccc2ccccc12
InChIInChI=1S/C10H10NO3P/c12-15(13,14)11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,11,12,13,14)
InChIKeyLMWYQULYOCSFTD-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.34
Rot. Bonds2

About (naphthalen-1-ylamino)phosphonic acid

(naphthalen-1-ylamino)phosphonic acid (PubChem CID 66660406) has the molecular formula C10H10NO3P and a molecular weight of 223.17 g/mol. Its IUPAC name is (naphthalen-1-ylamino)phosphonic acid.

Molecular Properties

Compound Name(naphthalen-1-ylamino)phosphonic acid
PubChem CID66660406
Molecular FormulaC10H10NO3P
Molecular Weight223.17 g/mol
Exact Mass223.04
IUPAC Name(naphthalen-1-ylamino)phosphonic acid
SMILESO=P(O)(O)Nc1cccc2ccccc12
InChIInChI=1S/C10H10NO3P/c12-15(13,14)11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,11,12,13,14)
InChIKeyLMWYQULYOCSFTD-UHFFFAOYSA-N
XLogP2.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (naphthalen-1-ylamino)phosphonic acid?
The IUPAC name of (naphthalen-1-ylamino)phosphonic acid (CID 66660406) is (naphthalen-1-ylamino)phosphonic acid.
What is the SMILES notation for (naphthalen-1-ylamino)phosphonic acid?
The canonical SMILES for (naphthalen-1-ylamino)phosphonic acid is O=P(O)(O)Nc1cccc2ccccc12.
What is the InChIKey of (naphthalen-1-ylamino)phosphonic acid?
The InChIKey is LMWYQULYOCSFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO3P/c12-15(13,14)11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,11,12,13,14).
What are the key properties of (naphthalen-1-ylamino)phosphonic acid?
(naphthalen-1-ylamino)phosphonic acid has a molecular weight of 223.17 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (naphthalen-1-ylamino)phosphonic acid is sourced from PubChem (CID 66660406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).