2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid

C12H10ClN3O3 — CID 134393633

IUPAC2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-n2ccc(OC3CC3)n2)nc1Cl
InChIInChI=1S/C12H10ClN3O3/c13-11-8(12(17)18)3-4-9(14-11)16-6-5-10(15-16)19-7-1-2-7/h3-7H,1-2H2,(H,17,18)
InChIKeyBZLDOEYEISWMMS-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.16
Rot. Bonds4

About 2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid

2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 134393633) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid
PubChem CID134393633
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-n2ccc(OC3CC3)n2)nc1Cl
InChIInChI=1S/C12H10ClN3O3/c13-11-8(12(17)18)3-4-9(14-11)16-6-5-10(15-16)19-7-1-2-7/h3-7H,1-2H2,(H,17,18)
InChIKeyBZLDOEYEISWMMS-UHFFFAOYSA-N
XLogP2.16
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid (CID 134393633) is 2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-n2ccc(OC3CC3)n2)nc1Cl.
What is the InChIKey of 2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is BZLDOEYEISWMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c13-11-8(12(17)18)3-4-9(14-11)16-6-5-10(15-16)19-7-1-2-7/h3-7H,1-2H2,(H,17,18).
What are the key properties of 2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid?
2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 279.68 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 134393633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).