6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid

C13H9Cl2NO3 — CID 106903214

IUPAC6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H9Cl2NO3/c14-8-4-5-12(10(15)6-8)19-7-9-2-1-3-11(16-9)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyKMRBNGORDVGEJX-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.67
Rot. Bonds4

About 6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid

6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 106903214) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID106903214
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H9Cl2NO3/c14-8-4-5-12(10(15)6-8)19-7-9-2-1-3-11(16-9)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyKMRBNGORDVGEJX-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

CID 11559437
CID 11559437
CID 11595316
CID 11595316
CID 4032767
CID 4032767
CID 106903207
CID 106903207
CID 106903220
CID 106903220
CID 155145846
CID 155145846
CID 155145946
CID 155145946
CID 155146077
CID 155146077
CID 155146083
CID 155146083
CID 155146136
CID 155146136
CID 155153757
CID 155153757
CID 155153758
CID 155153758

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid (CID 106903214) is 6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is KMRBNGORDVGEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-8-4-5-12(10(15)6-8)19-7-9-2-1-3-11(16-9)13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid?
6-[(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 6-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).