2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

C14H12N6O3 — CID 71622313

IUPAC2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2-c2nn[nH]n2)cn1
InChIInChI=1S/C14H12N6O3/c1-22-12-5-10(7-21)11(6-16-12)23-8-9-3-2-4-15-13(9)14-17-19-20-18-14/h2-7H,8H2,1H3,(H,17,18,19,20)
InChIKeyYUXFLUOAODGQAA-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.06
Rot. Bonds6

About 2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 71622313) has the molecular formula C14H12N6O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
PubChem CID71622313
Molecular FormulaC14H12N6O3
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC Name2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2-c2nn[nH]n2)cn1
InChIInChI=1S/C14H12N6O3/c1-22-12-5-10(7-21)11(6-16-12)23-8-9-3-2-4-15-13(9)14-17-19-20-18-14/h2-7H,8H2,1H3,(H,17,18,19,20)
InChIKeyYUXFLUOAODGQAA-UHFFFAOYSA-N
XLogP1.06
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (CID 71622313) is 2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is COc1cc(C=O)c(OCc2cccnc2-c2nn[nH]n2)cn1.
What is the InChIKey of 2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is YUXFLUOAODGQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O3/c1-22-12-5-10(7-21)11(6-16-12)23-8-9-3-2-4-15-13(9)14-17-19-20-18-14/h2-7H,8H2,1H3,(H,17,18,19,20).
What are the key properties of 2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 312.29 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 71622313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).