2-chloro-6-propoxypyridine-4-carboxylic acid

C9H10ClNO3 — CID 43247945

IUPAC2-chloro-6-propoxypyridine-4-carboxylic acid
SMILESCCCOc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C9H10ClNO3/c1-2-3-14-8-5-6(9(12)13)4-7(10)11-8/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyWIBDKDSUUQPLOM-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.22
Rot. Bonds4

About 2-chloro-6-propoxypyridine-4-carboxylic acid

2-chloro-6-propoxypyridine-4-carboxylic acid (PubChem CID 43247945) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-chloro-6-propoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-propoxypyridine-4-carboxylic acid
PubChem CID43247945
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name2-chloro-6-propoxypyridine-4-carboxylic acid
SMILESCCCOc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C9H10ClNO3/c1-2-3-14-8-5-6(9(12)13)4-7(10)11-8/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyWIBDKDSUUQPLOM-UHFFFAOYSA-N
XLogP2.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2-ethoxy-6-propoxypyridine-4-carboxylic acid
CID 130427459
2-butoxy-6-chloropyridine-4-carbonyl chloride
CID 21275763
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 63932215
2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid
CID 65472831
2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
CID 43166912
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-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid
CID 113379652
2-chloro-6-pentylpyridine-4-carboxylic acid
CID 165460314

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propoxypyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-propoxypyridine-4-carboxylic acid (CID 43247945) is 2-chloro-6-propoxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-propoxypyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-propoxypyridine-4-carboxylic acid is CCCOc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-propoxypyridine-4-carboxylic acid?
The InChIKey is WIBDKDSUUQPLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-2-3-14-8-5-6(9(12)13)4-7(10)11-8/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-chloro-6-propoxypyridine-4-carboxylic acid?
2-chloro-6-propoxypyridine-4-carboxylic acid has a molecular weight of 215.64 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propoxypyridine-4-carboxylic acid is sourced from PubChem (CID 43247945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).