6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C14H12ClN3O — CID 117130393

IUPAC6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccc(Cc2nc3ccc(Cl)cn3n2)c1
InChIInChI=1S/C14H12ClN3O/c1-19-12-4-2-3-10(7-12)8-13-16-14-6-5-11(15)9-18(14)17-13/h2-7,9H,8H2,1H3
InChIKeyYDYCYVYADJQTMW-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.98
Rot. Bonds3

About 6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117130393) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117130393
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccc(Cc2nc3ccc(Cl)cn3n2)c1
InChIInChI=1S/C14H12ClN3O/c1-19-12-4-2-3-10(7-12)8-13-16-14-6-5-11(15)9-18(14)17-13/h2-7,9H,8H2,1H3
InChIKeyYDYCYVYADJQTMW-UHFFFAOYSA-N
XLogP2.98
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130371
2-[(3-bromophenyl)methyl]-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117130289
2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117130281
8-bromo-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137276
7-methoxy-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134900
6-chloro-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130665
6-chloro-2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130502
2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 118482511
2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117137293
4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine
CID 18938913
6-chloro-N-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051334
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,N-dimethylethanamine
CID 117130961

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117130393) is 6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cccc(Cc2nc3ccc(Cl)cn3n2)c1.
What is the InChIKey of 6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YDYCYVYADJQTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-12-4-2-3-10(7-12)8-13-16-14-6-5-11(15)9-18(14)17-13/h2-7,9H,8H2,1H3.
What are the key properties of 6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 273.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117130393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).