2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde

C16H14N4O3 — CID 85472870

IUPAC2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2-n2cccn2)cn1
InChIInChI=1S/C16H14N4O3/c1-22-15-8-13(10-21)14(9-18-15)23-11-12-4-2-5-17-16(12)20-7-3-6-19-20/h2-10H,11H2,1H3
InChIKeyZINDRZKXBJAPGR-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.06
Rot. Bonds6

About 2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde

2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde (PubChem CID 85472870) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
PubChem CID85472870
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2-n2cccn2)cn1
InChIInChI=1S/C16H14N4O3/c1-22-15-8-13(10-21)14(9-18-15)23-11-12-4-2-5-17-16(12)20-7-3-6-19-20/h2-10H,11H2,1H3
InChIKeyZINDRZKXBJAPGR-UHFFFAOYSA-N
XLogP2.06
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde (CID 85472870) is 2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde is COc1cc(C=O)c(OCc2cccnc2-n2cccn2)cn1.
What is the InChIKey of 2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde?
The InChIKey is ZINDRZKXBJAPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-22-15-8-13(10-21)14(9-18-15)23-11-12-4-2-5-17-16(12)20-7-3-6-19-20/h2-10H,11H2,1H3.
What are the key properties of 2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde?
2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde has a molecular weight of 310.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-pyrazol-1-yl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 85472870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).