bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate

C15H17NO4 — CID 86807799

IUPACbis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate
SMILESC=C(C)COC(=O)c1ccnc(C(=O)OCC(=C)C)c1
InChIInChI=1S/C15H17NO4/c1-10(2)8-19-14(17)12-5-6-16-13(7-12)15(18)20-9-11(3)4/h5-7H,1,3,8-9H2,2,4H3
InChIKeyAYUNJGKWKURZDS-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.55
Rot. Bonds6

About bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate

bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate (PubChem CID 86807799) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate.

Molecular Properties

Compound Namebis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate
PubChem CID86807799
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namebis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate
SMILESC=C(C)COC(=O)c1ccnc(C(=O)OCC(=C)C)c1
InChIInChI=1S/C15H17NO4/c1-10(2)8-19-14(17)12-5-6-16-13(7-12)15(18)20-9-11(3)4/h5-7H,1,3,8-9H2,2,4H3
InChIKeyAYUNJGKWKURZDS-UHFFFAOYSA-N
XLogP2.55
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enyl 3-(trifluoromethyl)benzoate
CID 78789073
bis(2-phenylethyl) pyridine-2,4-dicarboxylate
CID 69102039
3-O-(2-methylprop-2-enyl) 1-O-propyl benzene-1,3-dicarboxylate
CID 91730802
fluoro 4-acetylpyridine-2-carboxylate
CID 143534060
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
CID 122378001
ethane;2-ethoxycarbonylpyridine-4-carboxylic acid;2-propan-2-yloxycarbonylpyridine-4-carboxylic acid
CID 145150631
ethyl 4-(4,4,4-trifluoro-3-oxobutanoyl)pyridine-2-carboxylate
CID 58955791
2-methylprop-2-enyl 4-[(S)-propan-2-ylsulfinyl]benzoate
CID 96520013
ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 122554521
2-bromoprop-2-enyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 99824160
ethyl 4-acetylpyridine-2-carboxylate;ethyl 4-(2-hydroxypropan-2-yl)pyridine-2-carboxylate;4-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid;1-pyridin-4-ylethanone
CID 158019087

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate?
The IUPAC name of bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate (CID 86807799) is bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate.
What is the SMILES notation for bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate?
The canonical SMILES for bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate is C=C(C)COC(=O)c1ccnc(C(=O)OCC(=C)C)c1.
What is the InChIKey of bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate?
The InChIKey is AYUNJGKWKURZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(2)8-19-14(17)12-5-6-16-13(7-12)15(18)20-9-11(3)4/h5-7H,1,3,8-9H2,2,4H3.
What are the key properties of bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate?
bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate is sourced from PubChem (CID 86807799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).