methyl 6-diphenylphosphorylpyridine-2-carboxylate

C19H16NO3P — CID 146162543

IUPACmethyl 6-diphenylphosphorylpyridine-2-carboxylate
SMILESCOC(=O)c1cccc(P(=O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H16NO3P/c1-23-19(21)17-13-8-14-18(20-17)24(22,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeySRCMOYHKJILVDD-UHFFFAOYSA-N
MW337.32 g/mol
LogP2.51
Rot. Bonds4

About methyl 6-diphenylphosphorylpyridine-2-carboxylate

methyl 6-diphenylphosphorylpyridine-2-carboxylate (PubChem CID 146162543) has the molecular formula C19H16NO3P and a molecular weight of 337.32 g/mol. Its IUPAC name is methyl 6-diphenylphosphorylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-diphenylphosphorylpyridine-2-carboxylate
PubChem CID146162543
Molecular FormulaC19H16NO3P
Molecular Weight337.32 g/mol
Exact Mass337.09
IUPAC Namemethyl 6-diphenylphosphorylpyridine-2-carboxylate
SMILESCOC(=O)c1cccc(P(=O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H16NO3P/c1-23-19(21)17-13-8-14-18(20-17)24(22,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeySRCMOYHKJILVDD-UHFFFAOYSA-N
XLogP2.51
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-diphenylphosphorylpyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl dipicolinate
CID 254510
6-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 4019172
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434
3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CID 326421
Methyl 6-methylpyridine-2-carboxylate
CID 73022
Ethyl 6-methylpyridine-2-carboxylate
CID 564597
6-(Ethoxycarbonyl)picolinic acid
CID 3594444
Isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate
CID 91703257
Diisopropyl pyridine-2,6-dicarboxylate
CID 746767
Dipentyl pyridine-2,6-dicarboxylate
CID 1725701

Frequently Asked Questions

What is the IUPAC name of methyl 6-diphenylphosphorylpyridine-2-carboxylate?
The IUPAC name of methyl 6-diphenylphosphorylpyridine-2-carboxylate (CID 146162543) is methyl 6-diphenylphosphorylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-diphenylphosphorylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-diphenylphosphorylpyridine-2-carboxylate is COC(=O)c1cccc(P(=O)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of methyl 6-diphenylphosphorylpyridine-2-carboxylate?
The InChIKey is SRCMOYHKJILVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16NO3P/c1-23-19(21)17-13-8-14-18(20-17)24(22,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3.
What are the key properties of methyl 6-diphenylphosphorylpyridine-2-carboxylate?
methyl 6-diphenylphosphorylpyridine-2-carboxylate has a molecular weight of 337.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-diphenylphosphorylpyridine-2-carboxylate is sourced from PubChem (CID 146162543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).