2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane

C16H14F3N3O2 — CID 143902918

IUPAC2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane
SMILESCC.O=C(O)c1cccn2nc(-c3ccc(F)cc3C(F)F)nc12
InChIInChI=1S/C14H8F3N3O2.C2H6/c15-7-3-4-8(10(6-7)11(16)17)12-18-13-9(14(21)22)2-1-5-20(13)19-12;1-2/h1-6,11H,(H,21,22);1-2H3
InChIKeyPMQUTCJFARGTKO-UHFFFAOYSA-N
MW337.30 g/mol
LogP4.20
Rot. Bonds3

About 2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane

2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane (PubChem CID 143902918) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane
PubChem CID143902918
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane
SMILESCC.O=C(O)c1cccn2nc(-c3ccc(F)cc3C(F)F)nc12
InChIInChI=1S/C14H8F3N3O2.C2H6/c15-7-3-4-8(10(6-7)11(16)17)12-18-13-9(14(21)22)2-1-5-20(13)19-12;1-2/h1-6,11H,(H,21,22);1-2H3
InChIKeyPMQUTCJFARGTKO-UHFFFAOYSA-N
XLogP4.20
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane with MolForge

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Related Compounds

2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566733
2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565554
2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565550
methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82566978
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565551
2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117137147
2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117258087
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 173339684
4-fluoro-2-propan-2-ylbenzoic acid
CID 22101476
2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117136518
2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117135997

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane?
The IUPAC name of 2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane (CID 143902918) is 2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane.
What is the SMILES notation for 2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane?
The canonical SMILES for 2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane is CC.O=C(O)c1cccn2nc(-c3ccc(F)cc3C(F)F)nc12.
What is the InChIKey of 2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane?
The InChIKey is PMQUTCJFARGTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2.C2H6/c15-7-3-4-8(10(6-7)11(16)17)12-18-13-9(14(21)22)2-1-5-20(13)19-12;1-2/h1-6,11H,(H,21,22);1-2H3.
What are the key properties of 2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane?
2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane has a molecular weight of 337.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane is sourced from PubChem (CID 143902918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).