ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate

C18H18ClNO4 — CID 169250770

IUPACethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(C)c(CC=O)c1OCc1ccccc1
InChIInChI=1S/C18H18ClNO4/c1-3-23-18(22)15-16(24-11-13-7-5-4-6-8-13)14(9-10-21)12(2)20-17(15)19/h4-8,10H,3,9,11H2,1-2H3
InChIKeyGHPISUGMEDDQAQ-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.54
Rot. Bonds7

About ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate

ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate (PubChem CID 169250770) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate
PubChem CID169250770
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Nameethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(C)c(CC=O)c1OCc1ccccc1
InChIInChI=1S/C18H18ClNO4/c1-3-23-18(22)15-16(24-11-13-7-5-4-6-8-13)14(9-10-21)12(2)20-17(15)19/h4-8,10H,3,9,11H2,1-2H3
InChIKeyGHPISUGMEDDQAQ-UHFFFAOYSA-N
XLogP3.54
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid
CID 169250757
ethane;ethyl 2-chloro-5,6-dimethyl-4-phenylmethoxypyridine-3-carboxylate
CID 169250389
ethyl 2-chloro-5-ethynyl-6-methyl-4-phenylmethoxypyridine-3-carboxylate
CID 169250843
ethyl 2-chloro-5-[(Z)-2-ethoxyethenyl]-6-methyl-4-phenylmethoxypyridine-3-carboxylate
CID 169250461
6-chloro-5-ethyl-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
CID 159161134
ethyl 6-chloro-5-iodo-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 58208939
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232497
diethyl 3-hydroxy-4-phenylmethoxythiophene-2,5-dicarboxylate
CID 54676787
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
CID 45142175

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate?
The IUPAC name of ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate (CID 169250770) is ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate is CCOC(=O)c1c(Cl)nc(C)c(CC=O)c1OCc1ccccc1.
What is the InChIKey of ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate?
The InChIKey is GHPISUGMEDDQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-3-23-18(22)15-16(24-11-13-7-5-4-6-8-13)14(9-10-21)12(2)20-17(15)19/h4-8,10H,3,9,11H2,1-2H3.
What are the key properties of ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate?
ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate has a molecular weight of 347.80 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate is sourced from PubChem (CID 169250770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).