4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate

C16H14NO5- — CID 21441541

IUPAC4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(=O)[O-])cnc(-c2ccccc2)c1OC
InChIInChI=1S/C16H15NO5/c1-3-22-16(20)12-11(15(18)19)9-17-13(14(12)21-2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,18,19)/p-1
InChIKeyKWWRMKMBABXHOV-UHFFFAOYSA-M
MW300.29 g/mol
LogP1.30
Rot. Bonds5

About 4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate

4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate (PubChem CID 21441541) has the molecular formula C16H14NO5- and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Name4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate
PubChem CID21441541
Molecular FormulaC16H14NO5-
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(=O)[O-])cnc(-c2ccccc2)c1OC
InChIInChI=1S/C16H15NO5/c1-3-22-16(20)12-11(15(18)19)9-17-13(14(12)21-2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,18,19)/p-1
InChIKeyKWWRMKMBABXHOV-UHFFFAOYSA-M
XLogP1.30
TPSA88.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride
CID 131710706
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 4-phenylphthalazine-1-carboxylate
CID 102221733
ethyl 1-phenyl-3-prop-2-enylisoquinoline-4-carboxylate
CID 102482698
methyl 2-(1-phenylisoquinolin-4-yl)benzoate
CID 147957016
ethyl 4-phenylpyrimidine-5-carboxylate;4-phenylpyrimidine-5-carboxylic acid
CID 159272594
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate
CID 59822652
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104

Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate?
The IUPAC name of 4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate (CID 21441541) is 4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for 4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate?
The canonical SMILES for 4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate is CCOC(=O)c1c(C(=O)[O-])cnc(-c2ccccc2)c1OC.
What is the InChIKey of 4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate?
The InChIKey is KWWRMKMBABXHOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15NO5/c1-3-22-16(20)12-11(15(18)19)9-17-13(14(12)21-2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,18,19)/p-1.
What are the key properties of 4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate?
4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate has a molecular weight of 300.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 21441541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).