5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid

C15H14ClNO3 — CID 57432301

IUPAC5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid
SMILESCc1ccccc1CCOc1ncc(Cl)cc1C(=O)O
InChIInChI=1S/C15H14ClNO3/c1-10-4-2-3-5-11(10)6-7-20-14-13(15(18)19)8-12(16)9-17-14/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyJGTWIJRPABSHNK-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.36
Rot. Bonds5

About 5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid

5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid (PubChem CID 57432301) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid
PubChem CID57432301
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid
SMILESCc1ccccc1CCOc1ncc(Cl)cc1C(=O)O
InChIInChI=1S/C15H14ClNO3/c1-10-4-2-3-5-11(10)6-7-20-14-13(15(18)19)8-12(16)9-17-14/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyJGTWIJRPABSHNK-UHFFFAOYSA-N
XLogP3.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[3-(2-methylphenyl)propanoylamino]benzoic acid
CID 141008006
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062803
5-fluoro-2-[(2-methyl-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
CID 91664500
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 6464449
3-chloro-2-(2-pyridin-2-ylethoxy)pyridine-4-carboxylic acid
CID 107063375
2-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzoic acid
CID 104548755
5-chloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 131431578
3-chloro-2,4-dihydroxy-5-(2-phenoxyethyl)benzoic acid
CID 88657813
2-[2-(4-chloro-2-methylphenoxy)ethoxy]benzoic acid
CID 43532238
2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole
CID 174681039
3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 107714129

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid (CID 57432301) is 5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid is Cc1ccccc1CCOc1ncc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid?
The InChIKey is JGTWIJRPABSHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-10-4-2-3-5-11(10)6-7-20-14-13(15(18)19)8-12(16)9-17-14/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid?
5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid has a molecular weight of 291.73 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 57432301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).