2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid

C9H10ClNO3 — CID 86618835

IUPAC2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
SMILESCC(C)Oc1ccc(C(=O)O)c(Cl)n1
InChIInChI=1S/C9H10ClNO3/c1-5(2)14-7-4-3-6(9(12)13)8(10)11-7/h3-5H,1-2H3,(H,12,13)
InChIKeyLDAFCYCVKBRWDC-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.22
Rot. Bonds3

About 2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid

2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid (PubChem CID 86618835) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
PubChem CID86618835
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
SMILESCC(C)Oc1ccc(C(=O)O)c(Cl)n1
InChIInChI=1S/C9H10ClNO3/c1-5(2)14-7-4-3-6(9(12)13)8(10)11-7/h3-5H,1-2H3,(H,12,13)
InChIKeyLDAFCYCVKBRWDC-UHFFFAOYSA-N
XLogP2.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid (CID 86618835) is 2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid is CC(C)Oc1ccc(C(=O)O)c(Cl)n1.
What is the InChIKey of 2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid?
The InChIKey is LDAFCYCVKBRWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-5(2)14-7-4-3-6(9(12)13)8(10)11-7/h3-5H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid?
2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid has a molecular weight of 215.64 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid is sourced from PubChem (CID 86618835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).