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

C16H16ClNO3 — CID 43343550

IUPAC2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
SMILESCc1cc(Oc2cc(C(=O)O)cc(Cl)n2)ccc1C(C)C
InChIInChI=1S/C16H16ClNO3/c1-9(2)13-5-4-12(6-10(13)3)21-15-8-11(16(19)20)7-14(17)18-15/h4-9H,1-3H3,(H,19,20)
InChIKeyNFDAYRRBAGNNAG-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.66
Rot. Bonds4

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

2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid (PubChem CID 43343550) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
PubChem CID43343550
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
SMILESCc1cc(Oc2cc(C(=O)O)cc(Cl)n2)ccc1C(C)C
InChIInChI=1S/C16H16ClNO3/c1-9(2)13-5-4-12(6-10(13)3)21-15-8-11(16(19)20)7-14(17)18-15/h4-9H,1-3H3,(H,19,20)
InChIKeyNFDAYRRBAGNNAG-UHFFFAOYSA-N
XLogP4.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
CID 43369927
2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343545
6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid
CID 107554670
2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
CID 43166912
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 43352053
2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboximidamide
CID 114769248
4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80949504
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid
CID 29047649
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole
CID 83153578
2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid
CID 43343579
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 115474420

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid (CID 43343550) is 2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid is Cc1cc(Oc2cc(C(=O)O)cc(Cl)n2)ccc1C(C)C.
What is the InChIKey of 2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is NFDAYRRBAGNNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-9(2)13-5-4-12(6-10(13)3)21-15-8-11(16(19)20)7-14(17)18-15/h4-9H,1-3H3,(H,19,20).
What are the key properties of 2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid?
2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid has a molecular weight of 305.76 g/mol, XLogP of 4.66, 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-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 43343550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).