2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid

C14H12ClNO4 — CID 43343574

IUPAC2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
SMILESCOc1cccc(COc2cc(C(=O)O)cc(Cl)n2)c1
InChIInChI=1S/C14H12ClNO4/c1-19-11-4-2-3-9(5-11)8-20-13-7-10(14(17)18)6-12(15)16-13/h2-7H,8H2,1H3,(H,17,18)
InChIKeyZEIMTILXTCMUJE-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.02
Rot. Bonds5

About 2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid

2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid (PubChem CID 43343574) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
PubChem CID43343574
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
SMILESCOc1cccc(COc2cc(C(=O)O)cc(Cl)n2)c1
InChIInChI=1S/C14H12ClNO4/c1-19-11-4-2-3-9(5-11)8-20-13-7-10(14(17)18)6-12(15)16-13/h2-7H,8H2,1H3,(H,17,18)
InChIKeyZEIMTILXTCMUJE-UHFFFAOYSA-N
XLogP3.02
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138
2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
CID 43166912
2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417811
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
3-bromo-5-[(3-methoxyphenyl)methoxy]benzoic acid
CID 102823525
3-chloro-6-[(3-methoxyphenyl)methoxy]pyridazine
CID 24702532
2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 63932215
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid
CID 142600538
benzyl 2-chloro-6-methoxypyridine-4-carboxylate
CID 172647187
4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
CID 59303396
3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid
CID 28604689

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid (CID 43343574) is 2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid is COc1cccc(COc2cc(C(=O)O)cc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is ZEIMTILXTCMUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-19-11-4-2-3-9(5-11)8-20-13-7-10(14(17)18)6-12(15)16-13/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid?
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 43343574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).