2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid

C18H18ClNO5 — CID 169250757

IUPAC2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid
SMILESCCOC(=O)c1c(Cl)nc(C)c(CC(=O)O)c1OCc1ccccc1
InChIInChI=1S/C18H18ClNO5/c1-3-24-18(23)15-16(25-10-12-7-5-4-6-8-12)13(9-14(21)22)11(2)20-17(15)19/h4-8H,3,9-10H2,1-2H3,(H,21,22)
InChIKeyUIPCSCYCVQVFHM-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.43
Rot. Bonds7

About 2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid

2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid (PubChem CID 169250757) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid
PubChem CID169250757
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid
SMILESCCOC(=O)c1c(Cl)nc(C)c(CC(=O)O)c1OCc1ccccc1
InChIInChI=1S/C18H18ClNO5/c1-3-24-18(23)15-16(25-10-12-7-5-4-6-8-12)13(9-14(21)22)11(2)20-17(15)19/h4-8H,3,9-10H2,1-2H3,(H,21,22)
InChIKeyUIPCSCYCVQVFHM-UHFFFAOYSA-N
XLogP3.43
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-chloro-6-methyl-5-(2-oxoethyl)-4-phenylmethoxypyridine-3-carboxylate
CID 169250770
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 2-methyl-6-phenylmethoxybenzoate
CID 67461909
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 6-chloro-5-iodo-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 58208939
diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232497
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
diethyl 3-hydroxy-4-phenylmethoxythiophene-2,5-dicarboxylate
CID 54676787
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid (CID 169250757) is 2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid is CCOC(=O)c1c(Cl)nc(C)c(CC(=O)O)c1OCc1ccccc1.
What is the InChIKey of 2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid?
The InChIKey is UIPCSCYCVQVFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-3-24-18(23)15-16(25-10-12-7-5-4-6-8-12)13(9-14(21)22)11(2)20-17(15)19/h4-8H,3,9-10H2,1-2H3,(H,21,22).
What are the key properties of 2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid?
2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid has a molecular weight of 363.80 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 169250757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).