3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid

C12H6Cl3NO3 — CID 107063256

IUPAC3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2cc(Cl)ccc2Cl)c1Cl
InChIInChI=1S/C12H6Cl3NO3/c13-6-1-2-8(14)9(5-6)19-11-10(15)7(12(17)18)3-4-16-11/h1-5H,(H,17,18)
InChIKeyQWJHTPBXYIUQPV-UHFFFAOYSA-N
MW318.54 g/mol
LogP4.53
Rot. Bonds3

About 3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid

3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid (PubChem CID 107063256) has the molecular formula C12H6Cl3NO3 and a molecular weight of 318.54 g/mol. Its IUPAC name is 3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
PubChem CID107063256
Molecular FormulaC12H6Cl3NO3
Molecular Weight318.54 g/mol
Exact Mass316.94
IUPAC Name3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2cc(Cl)ccc2Cl)c1Cl
InChIInChI=1S/C12H6Cl3NO3/c13-6-1-2-8(14)9(5-6)19-11-10(15)7(12(17)18)3-4-16-11/h1-5H,(H,17,18)
InChIKeyQWJHTPBXYIUQPV-UHFFFAOYSA-N
XLogP4.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-chlorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063534
3-chloro-2-(2,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 107063249
2-(2-bromophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063355
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063604
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063613
4-(2,5-dichlorophenoxy)pyridine-2-carboxylic acid
CID 43325991
2-(2-tert-butylphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063252
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 107714129
3-chloro-2-(4-propoxyphenoxy)pyridine-4-carboxylic acid
CID 107063396
2-(2,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309612

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid (CID 107063256) is 3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Oc2cc(Cl)ccc2Cl)c1Cl.
What is the InChIKey of 3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid?
The InChIKey is QWJHTPBXYIUQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO3/c13-6-1-2-8(14)9(5-6)19-11-10(15)7(12(17)18)3-4-16-11/h1-5H,(H,17,18).
What are the key properties of 3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid?
3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid has a molecular weight of 318.54 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 107063256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).