methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate

C11H10ClN3O2 — CID 116990162

IUPACmethyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc3ccc(Cl)cn3n2)CC1
InChIInChI=1S/C11H10ClN3O2/c1-17-10(16)11(4-5-11)9-13-8-3-2-7(12)6-15(8)14-9/h2-3,6H,4-5H2,1H3
InChIKeyCPZDUSQSPVUTHJ-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.59
Rot. Bonds2

About methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate

methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate (PubChem CID 116990162) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate
PubChem CID116990162
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Namemethyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc3ccc(Cl)cn3n2)CC1
InChIInChI=1S/C11H10ClN3O2/c1-17-10(16)11(4-5-11)9-13-8-3-2-7(12)6-15(8)14-9/h2-3,6H,4-5H2,1H3
InChIKeyCPZDUSQSPVUTHJ-UHFFFAOYSA-N
XLogP1.59
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate
CID 116989438
1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine
CID 116990158
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile
CID 116990151
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile
CID 116990156
6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 122399895
methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
CID 116964008
methyl 1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79733584
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid
CID 84799324
methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 130871543
3-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid
CID 116990115
methyl 1-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxylate
CID 116963906
6-chloro-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130665

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate (CID 116990162) is methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2nc3ccc(Cl)cn3n2)CC1.
What is the InChIKey of methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate?
The InChIKey is CPZDUSQSPVUTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-17-10(16)11(4-5-11)9-13-8-3-2-7(12)6-15(8)14-9/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate?
methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate has a molecular weight of 251.67 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116990162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).