2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid

C17H11Cl2F3N2O3 — CID 19389542

IUPAC2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid
SMILESCC(Oc1ccc2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1)C(=O)O
InChIInChI=1S/C17H11Cl2F3N2O3/c1-8(16(25)26)27-11-3-2-9-7-23-24(14(9)6-11)15-12(18)4-10(5-13(15)19)17(20,21)22/h2-8H,1H3,(H,25,26)
InChIKeyNMAVOUGIYIIRJV-UHFFFAOYSA-N
MW419.19 g/mol
LogP5.20
Rot. Bonds4

About 2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid

2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid (PubChem CID 19389542) has the molecular formula C17H11Cl2F3N2O3 and a molecular weight of 419.19 g/mol. Its IUPAC name is 2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid
PubChem CID19389542
Molecular FormulaC17H11Cl2F3N2O3
Molecular Weight419.19 g/mol
Exact Mass418.01
IUPAC Name2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid
SMILESCC(Oc1ccc2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1)C(=O)O
InChIInChI=1S/C17H11Cl2F3N2O3/c1-8(16(25)26)27-11-3-2-9-7-23-24(14(9)6-11)15-12(18)4-10(5-13(15)19)17(20,21)22/h2-8H,1H3,(H,25,26)
InChIKeyNMAVOUGIYIIRJV-UHFFFAOYSA-N
XLogP5.20
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.19
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid?
The IUPAC name of 2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid (CID 19389542) is 2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid.
What is the SMILES notation for 2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid?
The canonical SMILES for 2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid is CC(Oc1ccc2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1)C(=O)O.
What is the InChIKey of 2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid?
The InChIKey is NMAVOUGIYIIRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N2O3/c1-8(16(25)26)27-11-3-2-9-7-23-24(14(9)6-11)15-12(18)4-10(5-13(15)19)17(20,21)22/h2-8H,1H3,(H,25,26).
What are the key properties of 2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid?
2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid has a molecular weight of 419.19 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoic acid is sourced from PubChem (CID 19389542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).