ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate

C10H10ClN3O2 — CID 155128890

IUPACethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(Cl)cn2nncc2c1C
InChIInChI=1S/C10H10ClN3O2/c1-3-16-10(15)9-6(2)8-4-12-13-14(8)5-7(9)11/h4-5H,3H2,1-2H3
InChIKeyPATVWAKNPQRKGY-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.87
Rot. Bonds2

About ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate

ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 155128890) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate
PubChem CID155128890
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Nameethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(Cl)cn2nncc2c1C
InChIInChI=1S/C10H10ClN3O2/c1-3-16-10(15)9-6(2)8-4-12-13-14(8)5-7(9)11/h4-5H,3H2,1-2H3
InChIKeyPATVWAKNPQRKGY-UHFFFAOYSA-N
XLogP1.87
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4,6-dichlorotriazolo[1,5-a]pyridine-5-carboxylate
CID 155128985
ethyl 6-chloro-3-formyl-2-methylbenzoate
CID 171006023
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 6-chloro-3-fluoro-2-methylbenzoate
CID 130921289
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate
CID 163273456
ethyl 6-bromo-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate
CID 169163079
ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208
ethyl 2,6-dichloro-4-iodobenzoate
CID 51341876
ethyl 2-(bromomethyl)-3,6-dichlorobenzoate
CID 86723724
ethyl 4-chloro-2,3,6-trifluorobenzoate
CID 134643432
ethyl 4-amino-2,3,5,6-tetramethylbenzoate
CID 154639052

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate (CID 155128890) is ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate is CCOC(=O)c1c(Cl)cn2nncc2c1C.
What is the InChIKey of ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is PATVWAKNPQRKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-3-16-10(15)9-6(2)8-4-12-13-14(8)5-7(9)11/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate?
ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 239.66 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-methyltriazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 155128890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).