methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate

C16H12ClFN2O2 — CID 153392894

IUPACmethyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3c(F)cccc3Cl)c(C)nn2c1
InChIInChI=1S/C16H12ClFN2O2/c1-9-14(15-11(17)4-3-5-12(15)18)13-7-6-10(16(21)22-2)8-20(13)19-9/h3-8H,1-2H3
InChIKeyYOFIWSQVJBVQRB-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.89
Rot. Bonds2

About methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate

methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 153392894) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID153392894
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC Namemethyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3c(F)cccc3Cl)c(C)nn2c1
InChIInChI=1S/C16H12ClFN2O2/c1-9-14(15-11(17)4-3-5-12(15)18)13-7-6-10(16(21)22-2)8-20(13)19-9/h3-8H,1-2H3
InChIKeyYOFIWSQVJBVQRB-UHFFFAOYSA-N
XLogP3.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
Methyl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate
CID 752167
ethyl 1-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxylate
CID 883633
Ethyl 2-(2-chlorophenyl)indolizine-1-carboxylate
CID 1491222
Methyl 2-(3-(4-carbamoylphenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamido)-5-chlorobenzoate
CID 163255374
3-Chloro-1-[(2-chloro-6-methylphenyl)methyl]pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 60152281
1-(2,6-dichlorobenzyl)-3-methyl-1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 68183811
1-[(2-Chloro-6-methylphenyl)methyl]-3-ethylpyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 68184015
1-[(2,6-Dichlorophenyl)methyl]-3-ethylpyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 68184516
4-(1-(2-chloro-6-(trifluoromethyl)benzyl)-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-fluorobenzoic acid
CID 123696906
Ethyl 7-(4-chlorobenzoyl)pyrrolo[1,2-B]pyridazine-5-carboxylate
CID 4151545
4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester
CID 10960333

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate (CID 153392894) is methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2c(-c3c(F)cccc3Cl)c(C)nn2c1.
What is the InChIKey of methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is YOFIWSQVJBVQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c1-9-14(15-11(17)4-3-5-12(15)18)13-7-6-10(16(21)22-2)8-20(13)19-9/h3-8H,1-2H3.
What are the key properties of methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 318.74 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chloro-6-fluorophenyl)-2-methylpyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 153392894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).