2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate

C16H14FNO4 — CID 3652370

IUPAC2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)Oc2ccc(F)cc2)n1
InChIInChI=1S/C16H14FNO4/c1-10(2)21-15(19)13-4-3-5-14(18-13)16(20)22-12-8-6-11(17)7-9-12/h3-10H,1-2H3
InChIKeyWGQRCAGJRKWSNT-UHFFFAOYSA-N
MW303.29 g/mol
LogP3.01
Rot. Bonds4

About 2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate

2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate (PubChem CID 3652370) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Name2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate
PubChem CID3652370
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)Oc2ccc(F)cc2)n1
InChIInChI=1S/C16H14FNO4/c1-10(2)21-15(19)13-4-3-5-14(18-13)16(20)22-12-8-6-11(17)7-9-12/h3-10H,1-2H3
InChIKeyWGQRCAGJRKWSNT-UHFFFAOYSA-N
XLogP3.01
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498727
propan-2-yl 6-fluoropyridine-2-carboxylate
CID 57438917
bis(4-acetylphenyl) pyridine-2,6-dicarboxylate
CID 4647078
bis(2,3,4,5,6-pentafluorophenyl) pyridine-2,6-dicarboxylate
CID 10553408
propan-2-yl 6-(aminomethyl)pyridine-2-carboxylate;hydrochloride
CID 135394013
bis(4-cyanophenyl) pyridine-2,6-dicarboxylate
CID 1150999
bis[(1S)-1-cyanoethyl] pyridine-2,6-dicarboxylate
CID 7979796
propan-2-yl 6-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139560827
propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate
CID 5042562
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
ethane;propan-2-yl 4,5-difluoro-6-(4-methoxyphenyl)pyridine-2-carboxylate
CID 144561639

Frequently Asked Questions

What is the IUPAC name of 2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate?
The IUPAC name of 2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate (CID 3652370) is 2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate.
What is the SMILES notation for 2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate?
The canonical SMILES for 2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate is CC(C)OC(=O)c1cccc(C(=O)Oc2ccc(F)cc2)n1.
What is the InChIKey of 2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate?
The InChIKey is WGQRCAGJRKWSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4/c1-10(2)21-15(19)13-4-3-5-14(18-13)16(20)22-12-8-6-11(17)7-9-12/h3-10H,1-2H3.
What are the key properties of 2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate?
2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate has a molecular weight of 303.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(4-fluorophenyl) 6-O-propan-2-yl pyridine-2,6-dicarboxylate is sourced from PubChem (CID 3652370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).