dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate

C15H12FNO4 — CID 122460979

IUPACdimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1ccc(-c2ccc(F)cc2)nc1C(=O)OC
InChIInChI=1S/C15H12FNO4/c1-20-14(18)11-7-8-12(17-13(11)15(19)21-2)9-3-5-10(16)6-4-9/h3-8H,1-2H3
InChIKeyZPZMONNVMVPJCC-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.46
Rot. Bonds3

About dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate

dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate (PubChem CID 122460979) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate
PubChem CID122460979
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Namedimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1ccc(-c2ccc(F)cc2)nc1C(=O)OC
InChIInChI=1S/C15H12FNO4/c1-20-14(18)11-7-8-12(17-13(11)15(19)21-2)9-3-5-10(16)6-4-9/h3-8H,1-2H3
InChIKeyZPZMONNVMVPJCC-UHFFFAOYSA-N
XLogP2.46
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Quinolinedicarboxylic acid
CID 69508
2-Methyl-6-phenylpyridine-3-carboxylic acid
CID 822960
6-Methylpyridine-2,3-dicarboxylic acid
CID 542567
Ethyl 6-fluoro-2-methyl-3-quinolinecarboxylate
CID 663463
2-Methylquinoline-3-carboxylic acid ethyl ester
CID 647634
2,3-Dimethyl 2,3-pyridinedicarboxylate
CID 69058
Methyl 5-phenyl-1H-pyrrole-2-carboxylate
CID 11217902
Methyl 6-(7-amino-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate
CID 13891338
6-(4-Chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester
CID 822962
3-Ethyl 5-propyl 4,6-dimethyl-2-phenylpyridine-3,5-dicarboxylate
CID 10569216
Diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10688603
Methyl 5,8-dioxoquinoline-2-carboxylate
CID 9859230

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate (CID 122460979) is dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate is COC(=O)c1ccc(-c2ccc(F)cc2)nc1C(=O)OC.
What is the InChIKey of dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate?
The InChIKey is ZPZMONNVMVPJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-20-14(18)11-7-8-12(17-13(11)15(19)21-2)9-3-5-10(16)6-4-9/h3-8H,1-2H3.
What are the key properties of dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate?
dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate has a molecular weight of 289.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-(4-fluorophenyl)pyridine-2,3-dicarboxylate is sourced from PubChem (CID 122460979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).