3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid

C14H10FN3O2 — CID 117142753

IUPAC3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nnc(Cc3cccc(F)c3)n12
InChIInChI=1S/C14H10FN3O2/c15-10-4-1-3-9(7-10)8-13-17-16-12-6-2-5-11(14(19)20)18(12)13/h1-7H,8H2,(H,19,20)
InChIKeyTXCSRDWZONWUIV-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.16
Rot. Bonds3

About 3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid

3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid (PubChem CID 117142753) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
PubChem CID117142753
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nnc(Cc3cccc(F)c3)n12
InChIInChI=1S/C14H10FN3O2/c15-10-4-1-3-9(7-10)8-13-17-16-12-6-2-5-11(14(19)20)18(12)13/h1-7H,8H2,(H,19,20)
InChIKeyTXCSRDWZONWUIV-UHFFFAOYSA-N
XLogP2.16
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142747
3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142781
3-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxylic acid
CID 115093000
5-[(3-fluorophenyl)methyl]-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene-4-carboxylic acid
CID 118159806
3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141154
4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
CID 84724580
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141938
2-[(3-fluorophenyl)methyl]thiophene-3-carboxylic acid
CID 71773236
4-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 175706112
3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117138056
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 83686835
3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141979

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid (CID 117142753) is 3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nnc(Cc3cccc(F)c3)n12.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The InChIKey is TXCSRDWZONWUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-10-4-1-3-9(7-10)8-13-17-16-12-6-2-5-11(14(19)20)18(12)13/h1-7H,8H2,(H,19,20).
What are the key properties of 3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117142753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).