3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C14H14FN3O3 — CID 81496946

IUPAC3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCOc1cccc(F)c1-c1nnc2n1CC(C(=O)O)CC2
InChIInChI=1S/C14H14FN3O3/c1-21-10-4-2-3-9(15)12(10)13-17-16-11-6-5-8(14(19)20)7-18(11)13/h2-4,8H,5-7H2,1H3,(H,19,20)
InChIKeyXREYSPGEWNZNQL-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.74
Rot. Bonds3

About 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 81496946) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID81496946
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCOc1cccc(F)c1-c1nnc2n1CC(C(=O)O)CC2
InChIInChI=1S/C14H14FN3O3/c1-21-10-4-2-3-9(15)12(10)13-17-16-11-6-5-8(14(19)20)7-18(11)13/h2-4,8H,5-7H2,1H3,(H,19,20)
InChIKeyXREYSPGEWNZNQL-UHFFFAOYSA-N
XLogP1.74
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid with MolForge

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Related Compounds

3-(4-hydroxyphenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 136237121
3-(3,4,5-Trifluorophenoxy)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 153915386
3-[3-(Difluoromethylsulfanyl)-5-(4-methoxyphenyl)-1,2,4-triazol-4-yl]propanoic acid
CID 16782202
7-[(5-fluoro-2-methoxyphenyl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 56780149
3-(2-Fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 65434459
3-(2-Fluoro-6-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 65434460
3-[5-(2-Fluoro-6-methoxyphenyl)tetrazol-1-yl]propanoic acid
CID 66042415
3-[5-(2-Fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66043426
3-[5-(2-Fluoro-6-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66044365
4-[5-(2-Fluoro-6-methoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66044860
3-cyclopropyl-7-[(5-fluoro-2-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 72140362
[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-1-yl]acetic acid
CID 72894366

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 81496946) is 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is COc1cccc(F)c1-c1nnc2n1CC(C(=O)O)CC2.
What is the InChIKey of 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is XREYSPGEWNZNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-21-10-4-2-3-9(15)12(10)13-17-16-11-6-5-8(14(19)20)7-18(11)13/h2-4,8H,5-7H2,1H3,(H,19,20).
What are the key properties of 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 81496946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).