2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate

C19H20N2O4 — CID 139073387

IUPAC2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate
SMILESNc1ccc[nH+]c1.O.O=C([O-])C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O3.C5H6N2.H2O/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;6-5-2-1-3-7-4-5;/h1-10,17H,(H,15,16);1-4H,6H2;1H2
InChIKeyUVOIEMACHYMQBI-UHFFFAOYSA-N
MW340.38 g/mol
LogP-0.07
Rot. Bonds3

About 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate

2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate (PubChem CID 139073387) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate.

Molecular Properties

Compound Name2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate
PubChem CID139073387
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate
SMILESNc1ccc[nH+]c1.O.O=C([O-])C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O3.C5H6N2.H2O/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;6-5-2-1-3-7-4-5;/h1-10,17H,(H,15,16);1-4H,6H2;1H2
InChIKeyUVOIEMACHYMQBI-UHFFFAOYSA-N
XLogP-0.07
TPSA132.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate?
The IUPAC name of 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate (CID 139073387) is 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate.
What is the SMILES notation for 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate?
The canonical SMILES for 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate is Nc1ccc[nH+]c1.O.O=C([O-])C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate?
The InChIKey is UVOIEMACHYMQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C5H6N2.H2O/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;6-5-2-1-3-7-4-5;/h1-10,17H,(H,15,16);1-4H,6H2;1H2.
What are the key properties of 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate?
2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate has a molecular weight of 340.38 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-3-amine;hydrate is sourced from PubChem (CID 139073387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).