5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid

C10H12ClNO4 — CID 114916819

IUPAC5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid
SMILESCCOCCOc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C10H12ClNO4/c1-2-15-3-4-16-9-5-7(10(13)14)8(11)6-12-9/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeySCEFIONFFUZEOC-UHFFFAOYSA-N
MW245.66 g/mol
LogP1.85
Rot. Bonds6

About 5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid

5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid (PubChem CID 114916819) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is 5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid
PubChem CID114916819
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid
SMILESCCOCCOc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C10H12ClNO4/c1-2-15-3-4-16-9-5-7(10(13)14)8(11)6-12-9/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeySCEFIONFFUZEOC-UHFFFAOYSA-N
XLogP1.85
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid
CID 170338068
5-chloro-2-(2-methoxyphenoxy)pyridine-4-carboxylic acid
CID 114916805
5-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboxylic acid
CID 102721821
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
5-bromo-2-(2-ethoxyethoxy)benzoic acid
CID 43387801
5-chloro-2-[3-(methoxymethyl)phenoxy]pyridine-4-carboxylic acid
CID 114916937
5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 114919705
5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 114916977
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916812
5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916895
2-(2-carbamoylphenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916832
5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid
CID 114919354

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid (CID 114916819) is 5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid is CCOCCOc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid?
The InChIKey is SCEFIONFFUZEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c1-2-15-3-4-16-9-5-7(10(13)14)8(11)6-12-9/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid?
5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid has a molecular weight of 245.66 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethoxyethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 114916819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).