(2-methoxycarbonylphenyl) pyridine-4-carboxylate

C14H11NO4 — CID 786465

IUPAC(2-methoxycarbonylphenyl) pyridine-4-carboxylate
SMILESCOC(=O)c1ccccc1OC(=O)c1ccncc1
InChIInChI=1S/C14H11NO4/c1-18-14(17)11-4-2-3-5-12(11)19-13(16)10-6-8-15-9-7-10/h2-9H,1H3
InChIKeyDDVODGUCUUFDEO-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.09
Rot. Bonds3

About (2-methoxycarbonylphenyl) pyridine-4-carboxylate

(2-methoxycarbonylphenyl) pyridine-4-carboxylate (PubChem CID 786465) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is (2-methoxycarbonylphenyl) pyridine-4-carboxylate.

Molecular Properties

Compound Name(2-methoxycarbonylphenyl) pyridine-4-carboxylate
PubChem CID786465
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name(2-methoxycarbonylphenyl) pyridine-4-carboxylate
SMILESCOC(=O)c1ccccc1OC(=O)c1ccncc1
InChIInChI=1S/C14H11NO4/c1-18-14(17)11-4-2-3-5-12(11)19-13(16)10-6-8-15-9-7-10/h2-9H,1H3
InChIKeyDDVODGUCUUFDEO-UHFFFAOYSA-N
XLogP2.09
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.09
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

(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride
CID 171109487
methyl 2-(4-aminobenzoyl)oxybenzoate
CID 3031786
methyl 2-[4-(bromomethyl)benzoyl]oxybenzoate
CID 42631900
bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
CID 139985700
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
methyl 2-[4-(dimethylsulfamoyl)benzoyl]oxybenzoate
CID 17391310
(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate
CID 59397478
methyl 2-(2,2,2-trideuterioacetyl)oxybenzoate
CID 165349199
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
ethane;methyl 2-methoxybenzoate
CID 178037044
(2-methylphenyl) 2-benzoyloxybenzoate
CID 21306244
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of (2-methoxycarbonylphenyl) pyridine-4-carboxylate?
The IUPAC name of (2-methoxycarbonylphenyl) pyridine-4-carboxylate (CID 786465) is (2-methoxycarbonylphenyl) pyridine-4-carboxylate.
What is the SMILES notation for (2-methoxycarbonylphenyl) pyridine-4-carboxylate?
The canonical SMILES for (2-methoxycarbonylphenyl) pyridine-4-carboxylate is COC(=O)c1ccccc1OC(=O)c1ccncc1.
What is the InChIKey of (2-methoxycarbonylphenyl) pyridine-4-carboxylate?
The InChIKey is DDVODGUCUUFDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-18-14(17)11-4-2-3-5-12(11)19-13(16)10-6-8-15-9-7-10/h2-9H,1H3.
What are the key properties of (2-methoxycarbonylphenyl) pyridine-4-carboxylate?
(2-methoxycarbonylphenyl) pyridine-4-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycarbonylphenyl) pyridine-4-carboxylate is sourced from PubChem (CID 786465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).