7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde

C9H5N3O — CID 176754392

IUPAC7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde
SMILES[C-]#[N+]c1cc(C=O)cc2ccnn12
InChIInChI=1S/C9H5N3O/c1-10-9-5-7(6-13)4-8-2-3-11-12(8)9/h2-6H
InChIKeyDCIVEGJLPOUVMJ-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.70
Rot. Bonds1

About 7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde

7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 176754392) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is 7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde
PubChem CID176754392
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde
SMILES[C-]#[N+]c1cc(C=O)cc2ccnn12
InChIInChI=1S/C9H5N3O/c1-10-9-5-7(6-13)4-8-2-3-11-12(8)9/h2-6H
InChIKeyDCIVEGJLPOUVMJ-UHFFFAOYSA-N
XLogP1.70
TPSA38.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pyrazolo[1,5-a]pyridine-5-carbaldehyde
CID 10986375
5-isocyanopyrazolo[5,1-a]isoquinolin-10-ol
CID 164848809
5-methylpyrazolo[1,5-a]pyridin-7-amine
CID 155885446
5-bromo-7-chloropyrazolo[1,5-a]pyridine
CID 130065916
4-(5-isocyano-1,2-dimethylpyrrol-3-yl)benzaldehyde
CID 135008222
3-methyl-5-trimethylsilyloxybenzaldehyde
CID 131106170
3,5-dimethyl-4-trimethylsilyloxybenzaldehyde
CID 102090063
3,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 169438397
8-methylpyrido[1,2-b]pyridazin-6-one
CID 102383380
4-(5-methylpyrazol-1-yl)benzaldehyde
CID 105442092
5-chloro-6-isocyanopyridine-3-carbaldehyde
CID 58001744
3-(5-methylpyrazol-1-yl)benzaldehyde
CID 121219228

Frequently Asked Questions

What is the IUPAC name of 7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde (CID 176754392) is 7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde is [C-]#[N+]c1cc(C=O)cc2ccnn12.
What is the InChIKey of 7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is DCIVEGJLPOUVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c1-10-9-5-7(6-13)4-8-2-3-11-12(8)9/h2-6H.
What are the key properties of 7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde?
7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 171.16 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isocyanopyrazolo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 176754392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).