(4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate

C17H17NO5 — CID 2365237

IUPAC(4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H17NO5/c1-3-22-15-14(5-4-10-18-15)17(20)23-11-12-6-8-13(9-7-12)16(19)21-2/h4-10H,3,11H2,1-2H3
InChIKeyPCTVRHUKEDNDHW-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.62
Rot. Bonds6

About (4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate

(4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate (PubChem CID 2365237) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate
PubChem CID2365237
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name(4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H17NO5/c1-3-22-15-14(5-4-10-18-15)17(20)23-11-12-6-8-13(9-7-12)16(19)21-2/h4-10H,3,11H2,1-2H3
InChIKeyPCTVRHUKEDNDHW-UHFFFAOYSA-N
XLogP2.62
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Benzyl Nicotinate
CID 7191
2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid
CID 215891
3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
Nicotinic acid, 3-methylphenyl ester
CID 532681
4-Methoxyphenyl nicotinate
CID 532682
2-Phenoxynicotinic acid
CID 123450
4-Methylphenyl pyridine-3-carboxylate
CID 735961
Phenyl 3-pyridinecarboxylate
CID 77018
3-Acetyl-2-(trifluoromethyl)-4-pyridyl benzoate
CID 723671
Phenyl 2-phenoxynicotinate
CID 2797686
2-Methylphenyl nicotinate
CID 829373
5-Methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16228199

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate (CID 2365237) is (4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCc1ccc(C(=O)OC)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate?
The InChIKey is PCTVRHUKEDNDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-3-22-15-14(5-4-10-18-15)17(20)23-11-12-6-8-13(9-7-12)16(19)21-2/h4-10H,3,11H2,1-2H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate?
(4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2365237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).