4-methoxycarbonyl-2-pyridin-3-ylbenzoate

C14H10NO4- — CID 170994448

IUPAC4-methoxycarbonyl-2-pyridin-3-ylbenzoate
SMILESCOC(=O)c1ccc(C(=O)[O-])c(-c2cccnc2)c1
InChIInChI=1S/C14H11NO4/c1-19-14(18)9-4-5-11(13(16)17)12(7-9)10-3-2-6-15-8-10/h2-8H,1H3,(H,16,17)/p-1
InChIKeyOKBOCHQKHWYZSK-UHFFFAOYSA-M
MW256.24 g/mol
LogP0.90
Rot. Bonds3

About 4-methoxycarbonyl-2-pyridin-3-ylbenzoate

4-methoxycarbonyl-2-pyridin-3-ylbenzoate (PubChem CID 170994448) has the molecular formula C14H10NO4- and a molecular weight of 256.24 g/mol. Its IUPAC name is 4-methoxycarbonyl-2-pyridin-3-ylbenzoate.

Molecular Properties

Compound Name4-methoxycarbonyl-2-pyridin-3-ylbenzoate
PubChem CID170994448
Molecular FormulaC14H10NO4-
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name4-methoxycarbonyl-2-pyridin-3-ylbenzoate
SMILESCOC(=O)c1ccc(C(=O)[O-])c(-c2cccnc2)c1
InChIInChI=1S/C14H11NO4/c1-19-14(18)9-4-5-11(13(16)17)12(7-9)10-3-2-6-15-8-10/h2-8H,1H3,(H,16,17)/p-1
InChIKeyOKBOCHQKHWYZSK-UHFFFAOYSA-M
XLogP0.90
TPSA79.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451
ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate
CID 46317623
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
(111C)methyl pyridine-3-carboxylate
CID 11309537
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate
CID 80555016
methyl 5-nitro-2-pyridin-3-ylbenzoate
CID 46317465
methyl 3-(4-pyridin-3-ylanilino)benzoate
CID 164589559
methyl 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate;hydrobromide
CID 18613847

Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonyl-2-pyridin-3-ylbenzoate?
The IUPAC name of 4-methoxycarbonyl-2-pyridin-3-ylbenzoate (CID 170994448) is 4-methoxycarbonyl-2-pyridin-3-ylbenzoate.
What is the SMILES notation for 4-methoxycarbonyl-2-pyridin-3-ylbenzoate?
The canonical SMILES for 4-methoxycarbonyl-2-pyridin-3-ylbenzoate is COC(=O)c1ccc(C(=O)[O-])c(-c2cccnc2)c1.
What is the InChIKey of 4-methoxycarbonyl-2-pyridin-3-ylbenzoate?
The InChIKey is OKBOCHQKHWYZSK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11NO4/c1-19-14(18)9-4-5-11(13(16)17)12(7-9)10-3-2-6-15-8-10/h2-8H,1H3,(H,16,17)/p-1.
What are the key properties of 4-methoxycarbonyl-2-pyridin-3-ylbenzoate?
4-methoxycarbonyl-2-pyridin-3-ylbenzoate has a molecular weight of 256.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonyl-2-pyridin-3-ylbenzoate is sourced from PubChem (CID 170994448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).