3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C14H10FN3O2 — CID 63211830

IUPAC3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCc1cc(-c2nnc3ccc(C(=O)O)cn23)ccc1F
InChIInChI=1S/C14H10FN3O2/c1-8-6-9(2-4-11(8)15)13-17-16-12-5-3-10(14(19)20)7-18(12)13/h2-7H,1H3,(H,19,20)
InChIKeyORGZPOFXUVXXSB-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.54
Rot. Bonds2

About 3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 63211830) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID63211830
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCc1cc(-c2nnc3ccc(C(=O)O)cn23)ccc1F
InChIInChI=1S/C14H10FN3O2/c1-8-6-9(2-4-11(8)15)13-17-16-12-5-3-10(14(19)20)7-18(12)13/h2-7H,1H3,(H,19,20)
InChIKeyORGZPOFXUVXXSB-UHFFFAOYSA-N
XLogP2.54
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 82878738
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388963
3-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 113452949
3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158435
3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 136789864
3-(5-bromo-4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 79997539
3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134795570
6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088
6-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
CID 23433734
3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62390041
3-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62919620
3-(2,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 114375488

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 63211830) is 3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is Cc1cc(-c2nnc3ccc(C(=O)O)cn23)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is ORGZPOFXUVXXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-8-6-9(2-4-11(8)15)13-17-16-12-5-3-10(14(19)20)7-18(12)13/h2-7H,1H3,(H,19,20).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 63211830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).