2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

C14H9F2N3O — CID 83965863

IUPAC2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1cc2nc(-c3ccc(F)c(F)c3)nn2cc1C=O
InChIInChI=1S/C14H9F2N3O/c1-8-4-13-17-14(18-19(13)6-10(8)7-20)9-2-3-11(15)12(16)5-9/h2-7H,1H3
InChIKeyMORGGAZKKXRCDC-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.80
Rot. Bonds2

About 2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 83965863) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
PubChem CID83965863
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1cc2nc(-c3ccc(F)c(F)c3)nn2cc1C=O
InChIInChI=1S/C14H9F2N3O/c1-8-4-13-17-14(18-19(13)6-10(8)7-20)9-2-3-11(15)12(16)5-9/h2-7H,1H3
InChIKeyMORGGAZKKXRCDC-UHFFFAOYSA-N
XLogP2.80
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (CID 83965863) is 2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is Cc1cc2nc(-c3ccc(F)c(F)c3)nn2cc1C=O.
What is the InChIKey of 2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is MORGGAZKKXRCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O/c1-8-4-13-17-14(18-19(13)6-10(8)7-20)9-2-3-11(15)12(16)5-9/h2-7H,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 273.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 83965863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).