(4-methylphenyl)phosphonic acid;pyridin-2-amine

C12H15N2O3P — CID 44889967

IUPAC(4-methylphenyl)phosphonic acid;pyridin-2-amine
SMILESCc1ccc(P(=O)(O)O)cc1.Nc1ccccn1
InChIInChI=1S/C7H9O3P.C5H6N2/c1-6-2-4-7(5-3-6)11(8,9)10;6-5-3-1-2-4-7-5/h2-5H,1H3,(H2,8,9,10);1-4H,(H2,6,7)
InChIKeyFYDNETXWOIVNDP-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.46
Rot. Bonds1

About (4-methylphenyl)phosphonic acid;pyridin-2-amine

(4-methylphenyl)phosphonic acid;pyridin-2-amine (PubChem CID 44889967) has the molecular formula C12H15N2O3P and a molecular weight of 266.24 g/mol. Its IUPAC name is (4-methylphenyl)phosphonic acid;pyridin-2-amine.

Molecular Properties

Compound Name(4-methylphenyl)phosphonic acid;pyridin-2-amine
PubChem CID44889967
Molecular FormulaC12H15N2O3P
Molecular Weight266.24 g/mol
Exact Mass266.08
IUPAC Name(4-methylphenyl)phosphonic acid;pyridin-2-amine
SMILESCc1ccc(P(=O)(O)O)cc1.Nc1ccccn1
InChIInChI=1S/C7H9O3P.C5H6N2/c1-6-2-4-7(5-3-6)11(8,9)10;6-5-3-1-2-4-7-5/h2-5H,1H3,(H2,8,9,10);1-4H,(H2,6,7)
InChIKeyFYDNETXWOIVNDP-UHFFFAOYSA-N
XLogP1.46
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)phosphonic acid;pyridin-2-amine?
The IUPAC name of (4-methylphenyl)phosphonic acid;pyridin-2-amine (CID 44889967) is (4-methylphenyl)phosphonic acid;pyridin-2-amine.
What is the SMILES notation for (4-methylphenyl)phosphonic acid;pyridin-2-amine?
The canonical SMILES for (4-methylphenyl)phosphonic acid;pyridin-2-amine is Cc1ccc(P(=O)(O)O)cc1.Nc1ccccn1.
What is the InChIKey of (4-methylphenyl)phosphonic acid;pyridin-2-amine?
The InChIKey is FYDNETXWOIVNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O3P.C5H6N2/c1-6-2-4-7(5-3-6)11(8,9)10;6-5-3-1-2-4-7-5/h2-5H,1H3,(H2,8,9,10);1-4H,(H2,6,7).
What are the key properties of (4-methylphenyl)phosphonic acid;pyridin-2-amine?
(4-methylphenyl)phosphonic acid;pyridin-2-amine has a molecular weight of 266.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)phosphonic acid;pyridin-2-amine is sourced from PubChem (CID 44889967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).