[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid

C14H8Cl2F3N2O3P — CID 15278616

IUPAC[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid
SMILESO=P(O)(O)c1ccc2c(cnn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H8Cl2F3N2O3P/c15-10-4-8(14(17,18)19)5-11(16)13(10)21-12-2-1-9(25(22,23)24)3-7(12)6-20-21/h1-6H,(H2,22,23,24)
InChIKeyZRFMZRDYUDNFMK-UHFFFAOYSA-N
MW411.10 g/mol
LogP4.15
Rot. Bonds2

About [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid

[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid (PubChem CID 15278616) has the molecular formula C14H8Cl2F3N2O3P and a molecular weight of 411.10 g/mol. Its IUPAC name is [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid.

Molecular Properties

Compound Name[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid
PubChem CID15278616
Molecular FormulaC14H8Cl2F3N2O3P
Molecular Weight411.10 g/mol
Exact Mass409.96
IUPAC Name[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid
SMILESO=P(O)(O)c1ccc2c(cnn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H8Cl2F3N2O3P/c15-10-4-8(14(17,18)19)5-11(16)13(10)21-12-2-1-9(25(22,23)24)3-7(12)6-20-21/h1-6H,(H2,22,23,24)
InChIKeyZRFMZRDYUDNFMK-UHFFFAOYSA-N
XLogP4.15
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.10
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine
CID 15277999
2-chloro-4-[1-[3-hydroxy-5-(trifluoromethyl)phenyl]indazol-5-yl]phenol
CID 170685629
ethyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-nitroindazole-6-carboxylate
CID 19737188
ethyl 2-amino-4-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxy-3-oxopentanoate
CID 70263202
1-[4-(trifluoromethyl)phenyl]indazol-5-amine
CID 83414547
1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate
CID 154461404
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethylsulfonyl)-1,2,4-triazol-3-amine
CID 18914399
1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980364
4-tert-butylsulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 14054706
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
CID 54173610
4-(2,2-dibromocyclopropyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 58012467
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942

Frequently Asked Questions

What is the IUPAC name of [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid?
The IUPAC name of [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid (CID 15278616) is [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid.
What is the SMILES notation for [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid?
The canonical SMILES for [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid is O=P(O)(O)c1ccc2c(cnn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid?
The InChIKey is ZRFMZRDYUDNFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3N2O3P/c15-10-4-8(14(17,18)19)5-11(16)13(10)21-12-2-1-9(25(22,23)24)3-7(12)6-20-21/h1-6H,(H2,22,23,24).
What are the key properties of [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid?
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid has a molecular weight of 411.10 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid is sourced from PubChem (CID 15278616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).