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

C14H10BrN3O — CID 117138632

IUPAC3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nnc(Cc3ccccc3Br)n2c1
InChIInChI=1S/C14H10BrN3O/c15-12-4-2-1-3-11(12)7-14-17-16-13-6-5-10(9-19)8-18(13)14/h1-6,8-9H,7H2
InChIKeyNNLZZAIZIOQHPM-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.90
Rot. Bonds3

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

3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (PubChem CID 117138632) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
PubChem CID117138632
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nnc(Cc3ccccc3Br)n2c1
InChIInChI=1S/C14H10BrN3O/c15-12-4-2-1-3-11(12)7-14-17-16-13-6-5-10(9-19)8-18(13)14/h1-6,8-9H,7H2
InChIKeyNNLZZAIZIOQHPM-UHFFFAOYSA-N
XLogP2.90
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.90
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

3-[(2-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139614
3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138683
3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138682
3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138638
3-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139617
1-(2-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711656
3-[(2-fluorophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139612
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389506
6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117138066
4-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
CID 65349371
2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 84739483
3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139685

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The IUPAC name of 3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (CID 117138632) is 3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is O=Cc1ccc2nnc(Cc3ccccc3Br)n2c1.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The InChIKey is NNLZZAIZIOQHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-12-4-2-1-3-11(12)7-14-17-16-13-6-5-10(9-19)8-18(13)14/h1-6,8-9H,7H2.
What are the key properties of 3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde has a molecular weight of 316.16 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117138632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).