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

C14H10ClN3O — CID 117143667

IUPAC3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(Cc3ccc(Cl)cc3)nnc2c1
InChIInChI=1S/C14H10ClN3O/c15-12-3-1-10(2-4-12)7-13-16-17-14-8-11(9-19)5-6-18(13)14/h1-6,8-9H,7H2
InChIKeyAFFBZYXPSYLEIV-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.79
Rot. Bonds3

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

3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (PubChem CID 117143667) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
PubChem CID117143667
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(Cc3ccc(Cl)cc3)nnc2c1
InChIInChI=1S/C14H10ClN3O/c15-12-3-1-10(2-4-12)7-13-16-17-14-8-11(9-19)5-6-18(13)14/h1-6,8-9H,7H2
InChIKeyAFFBZYXPSYLEIV-UHFFFAOYSA-N
XLogP2.79
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117144572
7-chloro-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327082
3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 82391567
3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143568
3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139687
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 82404564
[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143392
4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 118216277
4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 118209474
3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144561
4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216678
7-chloro-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257284

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (CID 117143667) is 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is O=Cc1ccn2c(Cc3ccc(Cl)cc3)nnc2c1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The InChIKey is AFFBZYXPSYLEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-12-3-1-10(2-4-12)7-13-16-17-14-8-11(9-19)5-6-18(13)14/h1-6,8-9H,7H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde has a molecular weight of 271.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117143667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).