2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid

C11H10ClN3O3 — CID 139416833

IUPAC2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid
SMILESCCOc1cnc(Cl)c(C(=O)O)c1-n1cccn1
InChIInChI=1S/C11H10ClN3O3/c1-2-18-7-6-13-10(12)8(11(16)17)9(7)15-5-3-4-14-15/h3-6H,2H2,1H3,(H,16,17)
InChIKeyLHBMXWWTYIBAKF-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.02
Rot. Bonds4

About 2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid

2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid (PubChem CID 139416833) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid
PubChem CID139416833
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid
SMILESCCOc1cnc(Cl)c(C(=O)O)c1-n1cccn1
InChIInChI=1S/C11H10ClN3O3/c1-2-18-7-6-13-10(12)8(11(16)17)9(7)15-5-3-4-14-15/h3-6H,2H2,1H3,(H,16,17)
InChIKeyLHBMXWWTYIBAKF-UHFFFAOYSA-N
XLogP2.02
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-pyrazol-1-ylbenzoic acid
CID 150534802
3-ethyl-2-methoxy-6-pyrazol-1-ylbenzoic acid
CID 157483711
2,4-dichloro-5-methylpyridine-3-carboxylic acid
CID 174770663
2,4-diethoxypyridine-3-carboxylic acid
CID 90411373
2-methyl-6-pyrazol-1-ylbenzoic acid
CID 84670599
2,4-dichloro-5-hydroxypyridine-3-carboxylic acid
CID 141452317
diethyl 2-(5-chloro-2-pyrazol-1-ylphenyl)propanedioate
CID 71723825
ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
CID 117367533
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
4-(2-ethoxyphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30884899
3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid
CID 79591959
1-(2-chloro-4-ethoxyphenyl)pyrazole
CID 91589970

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid (CID 139416833) is 2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid is CCOc1cnc(Cl)c(C(=O)O)c1-n1cccn1.
What is the InChIKey of 2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid?
The InChIKey is LHBMXWWTYIBAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-2-18-7-6-13-10(12)8(11(16)17)9(7)15-5-3-4-14-15/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of 2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid?
2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid has a molecular weight of 267.67 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethoxy-4-pyrazol-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 139416833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).