4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid

C13H9Cl2NO3 — CID 63884780

IUPAC4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C13H9Cl2NO3/c14-9-1-2-12(10(15)6-9)19-7-8-3-4-16-11(5-8)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyIUTDITMXCRSXTH-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.67
Rot. Bonds4

About 4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid

4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 63884780) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID63884780
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(COc2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C13H9Cl2NO3/c14-9-1-2-12(10(15)6-9)19-7-8-3-4-16-11(5-8)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyIUTDITMXCRSXTH-UHFFFAOYSA-N
XLogP3.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63885169
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
4-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbothioamide
CID 63880550
2-cyano-5-[(2,4-dichlorophenoxy)methyl]benzoic acid
CID 155153991
4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63886141
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778
4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 63886132
4-(2,5-dichlorophenoxy)pyridine-2-carboxylic acid
CID 43325991
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
4-[(2-chloro-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698363
4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide
CID 69071864

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid (CID 63884780) is 4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid is O=C(O)c1cc(COc2ccc(Cl)cc2Cl)ccn1.
What is the InChIKey of 4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is IUTDITMXCRSXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-9-1-2-12(10(15)6-9)19-7-8-3-4-16-11(5-8)13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid?
4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 298.12 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63884780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).