2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid

C15H14ClNO3 — CID 43343545

IUPAC2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
SMILESCC(C)c1cccc(Oc2cc(C(=O)O)cc(Cl)n2)c1
InChIInChI=1S/C15H14ClNO3/c1-9(2)10-4-3-5-12(6-10)20-14-8-11(15(18)19)7-13(16)17-14/h3-9H,1-2H3,(H,18,19)
InChIKeyPJMYVNVNPORTQN-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.35
Rot. Bonds4

About 2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid

2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid (PubChem CID 43343545) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
PubChem CID43343545
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
SMILESCC(C)c1cccc(Oc2cc(C(=O)O)cc(Cl)n2)c1
InChIInChI=1S/C15H14ClNO3/c1-9(2)10-4-3-5-12(6-10)20-14-8-11(15(18)19)7-13(16)17-14/h3-9H,1-2H3,(H,18,19)
InChIKeyPJMYVNVNPORTQN-UHFFFAOYSA-N
XLogP4.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
CID 43166912
2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343550
4-chloro-6-(3-propan-2-ylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766686
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
CID 66457073
2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
CID 43369927
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 43352053
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
2-chloro-6-(2-iodophenoxy)pyridine-4-carboxylic acid
CID 43479681
[3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol
CID 61255662
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
4-chloro-6-(3-chlorophenoxy)-2-propan-2-ylpyrimidine
CID 80948656

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid (CID 43343545) is 2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid is CC(C)c1cccc(Oc2cc(C(=O)O)cc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is PJMYVNVNPORTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-9(2)10-4-3-5-12(6-10)20-14-8-11(15(18)19)7-13(16)17-14/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid?
2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid has a molecular weight of 291.73 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 43343545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).