3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

C17H15ClN4O2 — CID 129254373

IUPAC3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCCn1nccc1-c1ncccc1COc1cncc(Cl)c1C=O
InChIInChI=1S/C17H15ClN4O2/c1-2-22-15(5-7-21-22)17-12(4-3-6-20-17)11-24-16-9-19-8-14(18)13(16)10-23/h3-10H,2,11H2,1H3
InChIKeyCVDLJDZDLLRVDX-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.40
Rot. Bonds6

About 3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 129254373) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
PubChem CID129254373
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCCn1nccc1-c1ncccc1COc1cncc(Cl)c1C=O
InChIInChI=1S/C17H15ClN4O2/c1-2-22-15(5-7-21-22)17-12(4-3-6-20-17)11-24-16-9-19-8-14(18)13(16)10-23/h3-10H,2,11H2,1H3
InChIKeyCVDLJDZDLLRVDX-UHFFFAOYSA-N
XLogP3.40
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (CID 129254373) is 3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is CCn1nccc1-c1ncccc1COc1cncc(Cl)c1C=O.
What is the InChIKey of 3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is CVDLJDZDLLRVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-2-22-15(5-7-21-22)17-12(4-3-6-20-17)11-24-16-9-19-8-14(18)13(16)10-23/h3-10H,2,11H2,1H3.
What are the key properties of 3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 342.79 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 129254373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).