3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid

C15H12ClN3O2 — CID 155528221

IUPAC3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid
SMILESO=C(O)CC(c1ccc(Cl)cc1)c1ccn2cnnc2c1
InChIInChI=1S/C15H12ClN3O2/c16-12-3-1-10(2-4-12)13(8-15(20)21)11-5-6-19-9-17-18-14(19)7-11/h1-7,9,13H,8H2,(H,20,21)
InChIKeySWOWNOACGTWAQM-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.99
Rot. Bonds4

About 3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid

3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid (PubChem CID 155528221) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid
PubChem CID155528221
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid
SMILESO=C(O)CC(c1ccc(Cl)cc1)c1ccn2cnnc2c1
InChIInChI=1S/C15H12ClN3O2/c16-12-3-1-10(2-4-12)13(8-15(20)21)11-5-6-19-9-17-18-14(19)7-11/h1-7,9,13H,8H2,(H,20,21)
InChIKeySWOWNOACGTWAQM-UHFFFAOYSA-N
XLogP2.99
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid (CID 155528221) is 3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid is O=C(O)CC(c1ccc(Cl)cc1)c1ccn2cnnc2c1.
What is the InChIKey of 3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid?
The InChIKey is SWOWNOACGTWAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-12-3-1-10(2-4-12)13(8-15(20)21)11-5-6-19-9-17-18-14(19)7-11/h1-7,9,13H,8H2,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid?
3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid has a molecular weight of 301.73 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propanoic acid is sourced from PubChem (CID 155528221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).